*** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** Version - 011113/0.8 (C) 1992-2001 Gerard J. Kleywegt, Dept. Cell Mol. Biol., Uppsala (S) User I/O - routines courtesy of Rolf Boelens, Univ. of Utrecht (NL) Others - T.A. Jones, G. Bricogne, Rams, W.A. Hendrickson Others - W. Kabsch, CCP4, PROTEIN, E. Dodson, etc. etc. Started - Tue Nov 13 20:23:17 2001 User - gerard Mode - interactive Host - sarek ProcID - 10615 Not using a tty as input device *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** Reference(s) for this program: * 1 * G.J. Kleywegt (1992-2001). Uppsala University, Uppsala, Sweden. Unpublished program. * 2 * Kleywegt, G.J., Zou, J.Y., Kjeldgaard, M. & Jones, T.A. (2001). Around O. In: "International Tables for Crystallography, Vol. F. Crystallography of Biological Macromolecules" (Rossmann, M.G. & Arnold, E., Editors). Chapter 17.1, pp. 353-356, 366-367. Dordrecht: Kluwer Academic Publishers, The Netherlands. ==> For manuals and up-to-date references, visit: ==> http://xray.bmc.uu.se/usf ==> For downloading up-to-date versions, visit: ==> ftp://xray.bmc.uu.se/pub/gerard *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** Reading entries ... ERROR --- Fewer than 20 residues > (1alz 0.86 1997 0.1618 0.1855 1 1 100.000 _5%_OF_REFLECTIONS_IN_ NULL NU LL 10328 9111 HAS_AN_OMAP_IN_EDS) ERROR --- Fewer than 20 residues > (1etl 0.89 1994 0.073 NULL 8 0 0.000 NULL NULL NULL 10323 9106 NULL) ERROR --- Fewer than 20 residues > (1etm 0.89 1994 0.065 NULL 9 0 0.000 NULL NULL NULL 10324 9107 NULL) ERROR --- Fewer than 20 residues > (1etn 0.89 1994 0.088 NULL 9 0 0.000 NULL NULL NULL 10325 9108 NULL) ERROR --- Rfree <= R-value > (1dpn 0.95 1999 0.160 0.159 0 0 0 _RANDOM_ NULL NULL 10306 9090 HAS_AN_O MAP_IN_EDS) ERROR --- Rfree <= R-value > (1ghg 0.98 2000 0.150 0.150 0 0 0 NULL NULL NULL 14 14 NULL) Structure too young - skipping > (1i27 1.02 2001 0.126 0.146 68 0 0.000 _RANDOM_ NULL NULL 19 19 NULL) ERROR --- Fewer than 20 residues > (1qow 1.06 1999 0.1414 NULL 18 6 33.333 _RANDOM_ NULL NULL 10267 9060 NU LL) ERROR --- Fewer than 20 residues > (1akg 1.1 1997 0.147 0.157 14 0 0.000 RANDOM 351 10.0 10243 9038 HAS_AN_ OMAP_IN_EDS) ERROR --- Fewer than 20 residues > (1pen 1.1 1996 0.127 0.152 14 0 0.000 NULL 245 10. 10254 9047 NULL) ERROR --- Fewer than 20 residues > (1al4 1.13 1997 0.0851 0.1214 2 2 100.000 _5%_OF_REFLECTIONS_IN_ NULL NU LL 10237 9032 HAS_AN_OMAP_IN_EDS) Structure too young - skipping > (1hvb 1.17 2001 0.112 0.152 314 3 0.955 _RANDOM_ NULL NULL 34 33 NULL) ERROR --- Fewer than 20 residues > (1not 1.2 1996 0.178 0.222 10 0 0.000 RANDOM 306 10.0 10200 8999 NULL) Structure too young - skipping > (1i76 1.20 2001 0.129 0.171 148 4 2.703 _RANDOM_ NULL NULL 42 41 NULL) ERROR --- Rfree <= R-value > (1qq4 1.20 1999 0.174 0.174 166 6 3.614 NULL 3054 5.0 10202 9001 NULL) Structure too young - skipping > (1i0v 1.23 2001 0.178 0.192 90 0 0.000 RANDOM 2175 NULL 45 44 NULL) Structure too young - skipping > (1hyo 1.30 2001 0.181 0.199 755 15 1.987 RANDOM 5746 NULL 53 51 NULL) ERROR --- Rfree <= R-value > (1qdd 1.30 1999 0.159 0.132 132 3 2.273 NULL NULL NULL 10151 8958 NULL) Structure too young - skipping > (1i0h 1.35 2001 0.169 0.196 380 9 2.368 _RANDOM_ NULL NULL 59 57 NULL) Structure too young - skipping > (1i5g 1.40 2001 0.168 0.203 135 2 1.481 RANDOM 1229 4.900 93 91 NULL) Structure too young - skipping > (1h8d 1.4 2001 0.17 0.22 248 8 3.226 NULL NULL NULL 89 87 NULL) Structure too young - skipping > (1i73 1.40 2001 0.134 0.194 148 6 4.054 _RANDOM_ NULL NULL 94 92 NULL) Structure too young - skipping > (1hj5 1.46 2001 0.195 0.215 1018 34 3.340 RANDOM NULL 5.0 107 105 NULL) ERROR --- Fewer than 20 residues > (1pef 1.5 1995 0.170 0.196 16 0 0.000 NULL NULL NULL 9882 8743 NULL) Structure too young - skipping > (1hw1 1.50 2001 0.198 0.216 416 4 0.962 RANDOM 3974 NULL 147 144 NULL) Structure too young - skipping > (1io7 1.50 2001 0.224 0.267 685 16 2.336 RANDOM 6172 NULL 148 145 NULL) ERROR --- Fewer than 20 residues > (1a3j 1.6 1998 0.213 NULL 11 0 0.000 NULL NULL NULL 9480 8388 HAS_AN_OMA P_IN_EDS) ERROR --- Rfree <= R-value > (4msi 1.6 1997 0.226 0.199 61 0 0.000 RANDOM NULL 5 9691 8580 NULL) Structure too young - skipping > (1hxi 1.6 2001 0.186 0.223 107 1 0.935 5%_RANDOM_ 1218 5.000 221 218 NUL L) ERROR --- Rfree <= R-value > (1ab9 1.60 1997 0.191 0.190 211 2 0.948 RANDOM 2496 8.0 9487 8395 HAS_AN _OMAP_IN_EDS) Structure too young - skipping > (1h96 1.6 2001 0.160 0.220 153 2 1.307 RANDOM 1637 5.0 217 214 NULL) ERROR --- Rfree <= R-value > (5msi 1.6 1997 0.226 0.199 61 1 1.639 RANDOM NULL 5 9698 8585 NULL) Structure too young - skipping > (1hj3 1.6 2001 0.196 0.219 986 26 2.637 RANDOM NULL 5.0 218 215 NULL) Structure too young - skipping > (1hj4 1.6 2001 0.202 0.226 993 34 3.424 RANDOM NULL 5.0 219 216 NULL) Structure too young - skipping > (1hxr 1.65 2001 0.214 0.256 199 1 0.503 RANDOM 1132 NULL 247 244 NULL) Structure too young - skipping > (1i0x 1.65 2001 0.190 0.216 359 4 1.114 RANDOM 2873 NULL 248 245 NULL) Structure too young - skipping > (1hx6 1.65 2001 0.190 0.208 1043 32 3.068 SPHERES_ 2072 1.200 246 243 NU LL) Structure too young - skipping > (1hyf 1.70 2001 0.188 0.203 90 0 0.000 RANDOM 833 NULL 309 306 NULL) Structure too young - skipping > (1hv7 1.70 2001 0.150 0.201 213 5 2.347 RANDOM 1231 5.100 308 305 NULL) Structure too young - skipping > (1i7o 1.70 2001 0.251 0.278 1556 40 2.571 RANDOM 9927 5.100 310 307 NULL ) ERROR --- Rfree <= R-value > (1aqz 1.7 1997 0.237 0.177 251 8 3.187 RANDOM 2232 8.0 8943 7961 HAS_AN_ OMAP_IN_EDS) ERROR --- Rfree <= R-value > (1d0q 1.71 1999 0.244 0.196 178 6 3.371 RANDOM 1103 NULL 8909 7932 HAS_A N_OMAP_IN_EDS) ERROR --- Fewer than 20 residues > (1qsu 1.75 1999 0.180 0.227 6 0 0.000 RANDOM 540 9.900 351 348 NULL) Structure too young - skipping > (1h8i 1.75 2001 0.186 0.235 250 8 3.200 NULL NULL NULL 350 347 NULL) Structure too young - skipping > (1i3i 1.76 2001 0.173 0.202 90 0 0.000 RANDOM 969 NULL 352 349 NULL) Structure too young - skipping > (1h9o 1.79 2001 0.163 0.219 101 4 3.960 RANDOM 927 10.0 361 358 NULL) Structure too young - skipping > (1i1z 1.80 2001 0.1610 NULL 117 0 0.000 NULL NULL NULL 473 470 NULL) Structure too young - skipping > (1i2e 1.80 2001 0.190 0.209 90 0 0.000 RANDOM 735 NULL 475 472 NULL) Structure too young - skipping > (1hz1 1.80 2001 0.196 0.214 90 1 1.111 RANDOM 749 NULL 472 469 NULL) Structure too young - skipping > (1i4y 1.80 2001 0.224 0.249 848 10 1.179 RANDOM 6258 8.000 476 473 NULL) ERROR --- Rfree <= R-value > (1af0 1.80 1997 0.242 0.237 410 7 1.707 _RANDOM_ NULL NULL 7916 7042 NUL L) ERROR --- Rfree <= R-value > (1dt1 1.80 2000 0.210 0.204 112 2 1.786 _RANDOM_ NULL NULL 8126 7249 HAS _AN_OMAP_IN_EDS) Structure too young - skipping > (1i22 1.80 2001 0.1720 NULL 468 10 2.137 NULL NULL NULL 474 471 NULL) ERROR --- Rfree <= R-value > (2rtn 1.80 1997 0.276 0.200 199 5 2.513 NULL NULL NULL 8629 7705 HAS_AN_ OMAP_IN_EDS) Structure too young - skipping > (1i9q 1.80 2001 0.183 0.240 234 6 2.564 NULL 1022 NULL 477 474 NULL) Structure too young - skipping > (1huq 1.80 2001 0.195 0.232 155 5 3.226 RANDOM 679 NULL 471 468 NULL) Structure too young - skipping > (1hw5 1.82 2001 0.228 0.300 378 15 3.968 _RANDOM_ NULL NULL 490 487 NULL ) Structure too young - skipping > (1i9m 1.84 2001 0.194 0.256 234 4 1.709 NULL 954 NULL 501 498 NULL) Structure too young - skipping > (1i2g 1.85 2001 0.164 0.197 90 1 1.111 RANDOM 997 NULL 527 523 NULL) Structure too young - skipping > (1i9n 1.86 2001 0.221 0.280 234 2 0.855 NULL 934 NULL 538 534 NULL) Structure too young - skipping > (1i9o 1.86 2001 0.212 0.278 234 7 2.991 NULL NULL NULL 539 535 NULL) Structure too young - skipping > (1i20 1.90 2001 0.164 NULL 117 0 0.000 NULL NULL NULL 672 667 NULL) ERROR --- Rfree <= R-value > (254d 1.90 1995 0.197 0.186 0 0 0 NULL NULL NULL 7482 6663 HAS_AN_OMAP_I N_EDS) Structure too young - skipping > (1h83 1.9 2001 0.196 0.237 1272 24 1.887 NULL NULL 2.0 665 660 NULL) Structure too young - skipping > (1h82 1.9 2001 0.199 0.231 1272 26 2.044 NULL NULL 2.0 664 659 NULL) Structure too young - skipping > (1hx1 1.90 2001 0.234 0.279 455 10 2.198 RANDOM 3149 7.200 670 665 NULL) Structure too young - skipping > (1i06 1.90 2001 0.217 0.247 145 4 2.759 RANDOM 1428 NULL 671 666 NULL) Structure too young - skipping > (1hvy 1.90 2001 0.201 0.244 1040 31 2.981 RANDOM 5566 7.100 669 664 NULL ) Structure too young - skipping > (1h7w 1.9 2001 0.174 0.196 3735 112 2.999 RANDOM 6435 2.0 663 658 NULL) ERROR --- Rfree <= R-value > (1ncg 1.9 1995 0.217 0.201 90 4 4.444 NULL NULL NULL 7281 6473 NULL) Structure too young - skipping > (1i9p 1.92 2001 0.217 0.290 234 7 2.991 NULL 853 NULL 683 678 NULL) Structure too young - skipping > (1i8z 1.93 2001 0.223 0.293 234 4 1.709 NULL 848 NULL 687 682 NULL) Structure too young - skipping > (1i9l 1.93 2001 0.223 0.280 234 5 2.137 NULL 878 NULL 688 683 NULL) Structure too young - skipping > (1i2f 1.95 2001 0.172 0.205 90 0 0.000 RANDOM 878 NULL 711 706 NULL) ERROR --- Rfree <= R-value > (1bc3 1.95 1998 0.259 0.211 293 5 1.706 RANDOM 850 4.0 6748 5976 HAS_AN_ OMAP_IN_EDS) ERROR --- Rfree <= R-value > (1crz 1.95 1999 0.238 0.238 358 9 2.514 RANDOM 2495 NULL 694 689 NULL) ERROR --- Fewer than 20 residues > (1a3i 1.97 1998 0.181 NULL 11 2 18.182 NULL NULL NULL 6705 5940 HAS_AN_O MAP_IN_EDS) ERROR --- Fewer than 20 residues > (1bkv 2.0 1998 0.228 0.277 18 0 0.000 RANDOM 486 9.6 5829 5188 HAS_AN_OM AP_IN_EDS) ERROR --- Rfree <= R-value > (275d 2.0 1995 0.172 0.151 0 0 0 NULL NULL NULL 6482 5785 HAS_AN_OMAP_IN _EDS) Structure too young - skipping > (1hyb 2.00 2001 0.237 0.286 145 1 0.690 RANDOM 1699 9.800 900 894 NULL) Structure too young - skipping > (1h86 2.0 2001 0.184 0.229 1272 21 1.651 NULL NULL 2.0 886 880 NULL) Structure too young - skipping > (1i81 2.00 2001 0.218 0.257 455 8 1.758 RANDOM 2595 NULL 907 901 NULL) ERROR --- Rfree <= R-value > (1cws 2.00 1999 0.168 0.162 168 3 1.786 NULL NULL NULL 734 729 NULL) Structure too young - skipping > (1hyu 2.00 2001 0.182 0.235 470 9 1.915 RANDOM 3835 10.000 901 895 NULL) Structure too young - skipping > (1h84 2.0 2001 0.189 0.227 1272 26 2.044 NULL NULL 2.0 885 879 NULL) Structure too old - skipping > (2dnj 2.0 1986 0.174 NULL 242 6 2.479 NULL NULL NULL 6516 5810 NULL) Structure too young - skipping > (1i91 2.00 2001 0.151 0.205 234 6 2.564 NULL 767 NULL 909 903 NULL) Structure too young - skipping > (1hw3 2.00 2001 0.203 0.230 227 6 2.643 RANDOM 1192 4.900 899 893 NULL) ERROR --- Rfree <= R-value > (1srp 2.0 1994 0.193 0.184 408 11 2.696 NULL NULL NULL 6394 5702 NULL) ERROR --- Rfree <= R-value > (1eh3 2.00 2000 0.250 0.198 295 8 2.712 RANDOM 1089 NULL 6047 5391 NULL) Structure too young - skipping > (1hvx 2.00 2001 0.154 0.197 435 12 2.759 RANDOM 27048 NULL 898 892 NULL) Structure too old - skipping > (3il8 2.0 1990 0.187 NULL 64 2 3.125 NULL NULL NULL 6608 5876 NULL) Structure too young - skipping > (1i90 2.00 2001 0.158 0.234 234 8 3.419 NULL 734 NULL 908 902 NULL) Structure too young - skipping > (1io8 2.00 2001 0.230 0.307 685 24 3.504 RANDOM 2694 NULL 911 905 NULL) Structure too young - skipping > (1i05 2.00 2001 0.194 0.230 145 6 4.138 RANDOM 1691 NULL 903 897 NULL) Structure too young - skipping > (1i38 2.00 2001 0.280 0.345 236 10 4.237 RANDOM 750 4.900 905 899 NULL) Structure too young - skipping > (1hj6 2.0 2001 0.206 0.246 372 16 4.301 RANDOM 5332 10.0 893 887 NULL) Structure too young - skipping > (1i4p 2.00 2001 0.206 0.263 219 11 5.023 RANDOM NULL 10.000 906 900 NULL ) Structure too young - skipping > (1i37 2.00 2001 0.242 0.312 235 12 5.106 RANDOM 743 4.900 904 898 NULL) ERROR --- Rfree <= R-value > (1d7x 2.00 1999 0.262 0.227 312 16 5.128 RANDOM 1859 NULL 742 737 NULL) Structure too young - skipping > (1h9p 2.0 2001 0.239 0.289 213 11 5.164 RANDOM 1067 7.0 887 881 NULL) Structure too young - skipping > (1i04 2.00 2001 0.219 0.250 148 10 6.757 RANDOM 2138 NULL 902 896 NULL) Structure too young - skipping > (1io5 2.00 2001 0.210 0.323 115 10 8.696 RANDOM NULL NULL 910 904 NULL) Structure too young - skipping > (1h7x 2.01 2001 0.171 0.192 3741 98 2.620 RANDOM 5418 2.0 918 912 NULL) Structure too young - skipping > (1io9 2.05 2001 0.227 0.284 680 24 3.529 RANDOM 2584 NULL 952 946 NULL) Structure too young - skipping > (1hw4 2.06 2001 0.224 0.240 230 6 2.609 RANDOM 1123 4.900 955 949 NULL) Structure too old - skipping > (3sod 2.1 1990 0.190 NULL 124 2 1.613 NULL NULL NULL 5451 4843 NULL) Structure too young - skipping > (1h81 2.1 2001 0.191 0.235 1272 28 2.201 NULL NULL 2.0 1022 1015 NULL) ERROR --- Rfree <= R-value > (1de6 2.10 1999 0.244 0.244 1564 37 2.366 AME_AS_REFERENCE 5391 NULL 970 964 NULL) Structure too young - skipping > (1hv9 2.10 2001 0.211 0.248 797 21 2.635 SHELLS 3799 5.000 1025 1018 NUL L) Structure too young - skipping > (1i4g 2.10 2001 0.178 0.239 416 12 2.885 RANDOM 3086 NULL 1027 1020 NULL ) Structure too young - skipping > (1i0z 2.10 2001 0.177 0.230 614 18 2.932 RANDOM 1867 5.000 1026 1019 NUL L) Structure too young - skipping > (1i4z 2.10 2001 0.248 0.311 848 28 3.302 RANDOM 3703 8.100 1029 1022 NUL L) ERROR --- Rfree <= R-value > (1qcj 2.10 1999 0.230 0.230 492 20 4.065 NULL NULL 5.000 5311 4714 NULL) Structure too young - skipping > (1i4r 2.10 2001 0.201 0.243 219 10 4.566 RANDOM NULL 10.000 1028 1021 NU LL) ERROR --- Rfree <= R-value > (1cvy 2.15 1999 0.229 0.229 0 0 0 RANDOM 144 5.000 4866 4313 NULL) ERROR --- Fewer than 20 residues > (1edn 2.18 1994 0.199 NULL 19 9 47.368 NULL NULL NULL 4824 4272 NULL) ERROR --- Rfree <= R-value > (256d 2.2 1996 0.165 0.148 0 0 0 NULL NULL NULL 4674 4144 HAS_AN_OMAP_IN _EDS) Structure too young - skipping > (1hx8 2.2 2001 0.211 0.253 498 8 1.606 RANDOM 1807 NULL 1137 1129 NULL) ERROR --- Rfree <= R-value > (1cd2 2.2 1999 0.195 0.195 192 4 2.083 NULL NULL NULL 4307 3803 NULL) Structure too young - skipping > (1i08 2.2 2001 0.184 0.211 760 19 2.500 BASED_ON_R- FREE_ 2456 5.100 1138 1130 NULL) Structure too young - skipping > (1iof 2.2 2001 0.195 0.232 756 20 2.646 RANDOM NULL NULL 1140 1132 NULL) ERROR --- Rfree <= R-value > (1fvt 2.2 2000 0.232 0.232 262 7 2.672 RANDOM 1219 9.100 1111 1103 NULL) ERROR --- Rfree <= R-value > (1sbi 2.2 1995 0.164 0.163 241 7 2.905 NULL NULL NULL 4607 4083 HAS_AN_O MAP_IN_EDS) Structure too young - skipping > (1i4q 2.2 2001 0.213 0.254 219 8 3.653 RANDOM NULL 10.000 1139 1131 NULL ) ERROR --- Rfree <= R-value > (1du3 2.2 2000 0.291 0.291 1342 145 10.805 RANDOM 4680 NULL 1066 1058 NU LL) ERROR --- Rfree <= R-value > (5eas 2.25 1997 0.24 0.20 494 12 2.429 RANDOM 2085 5.0 4114 3619 HAS_AN_ OMAP_IN_EDS) ERROR --- Rfree <= R-value > (257d 2.30 1996 0.164 0.161 0 0 0 NULL NULL NULL 3898 3448 HAS_AN_OMAP_I N_EDS) ERROR --- Rfree <= R-value > (1ann 2.3 1995 0.249 0.186 290 3 1.034 NULL NULL NULL 3468 3040 NULL) ERROR --- Rfree <= R-value > (1c08 2.30 1999 0.235 0.175 314 9 2.866 REFLECTION_DATA_ 915 NULL 1185 1 177 NULL) Structure too young - skipping > (1i1i 2.30 2001 0.224 0.268 628 22 3.503 RANDOM 3644 NULL 1254 1246 NULL ) Structure too young - skipping > (1i10 2.30 2001 0.197 0.257 2417 89 3.682 RANDOM 5577 5.000 1253 1245 NU LL) ERROR --- Rfree <= R-value > (1f6f 2.30 2000 0.287 0.225 505 23 4.554 RANDOM 2043 NULL 3668 3230 NULL ) Structure too old - skipping > (1tfd 2.3 1990 0.225 NULL 268 57 21.269 NULL NULL NULL 3856 3412 NULL) Structure too young - skipping > (1i3f 2.35 2001 0.173 0.283 90 3 3.333 RANDOM 635 NULL 1275 1267 NULL) Structure too young - skipping > (1hu3 2.37 2001 0.249 0.295 193 5 2.591 RANDOM 2181 10.000 1281 1273 NUL L) ERROR --- Rfree <= R-value > (1c9z 2.40 1999 0.196 0.196 0 0 0 RANDOM 99 NULL 2973 2594 NULL) Structure too young - skipping > (1hvv 2.40 2001 0.238 0.273 244 2 0.820 RANDOM 1563 7.800 1354 1346 NULL ) Structure too young - skipping > (1i5i 2.40 2001 0.223 0.243 158 3 1.899 RANDOM 679 10.200 1359 1351 NULL ) Structure too young - skipping > (1i44 2.40 2001 0.210 0.268 260 6 2.308 RANDOM 702 5.000 1356 1348 NULL) ERROR --- Rfree <= R-value > (1chk 2.40 1995 0.181 0.175 422 13 3.081 NULL NULL 0.236 2980 2600 NULL) Structure too young - skipping > (1i1r 2.40 2001 0.213 0.256 442 15 3.394 RANDOM 3425 NULL 1355 1347 NULL ) ERROR --- Rfree <= R-value > (1d8f 2.40 1999 0.294 0.252 312 14 4.487 RANDOM 1225 NULL 1298 1290 NULL ) Structure too young - skipping > (1htz 2.40 2001 0.217 0.261 1446 71 4.910 RANDOM 3575 5.000 1353 1345 NU LL) Structure too young - skipping > (1i4o 2.40 2001 0.224 0.260 457 25 5.470 NULL NULL 6.000 1357 1349 NULL) Structure too young - skipping > (1i4x 2.40 2001 0.207 NULL 219 19 8.676 NULL NULL NULL 1358 1350 NULL) ERROR --- Rfree <= R-value > (1d8m 2.44 1999 0.315 0.277 312 14 4.487 RANDOM 1123 10.000 1367 1359 NU LL) ERROR --- Fewer than 20 residues > (1pnn 2.5 1995 0.187 0.235 4 0 0.000 NULL NULL NULL 2528 2214 HAS_AN_OMA P_IN_EDS) ERROR --- Rfree <= R-value > (297d 2.50 1996 0.221 0.216 0 0 0 NULL NULL NULL 2686 2352 NULL) Structure too young - skipping > (1i7y 2.50 2001 0.202 0.244 307 6 1.954 RANDOM 1382 9.500 1463 1454 NULL ) Structure too young - skipping > (1i31 2.50 2001 0.247 0.255 240 7 2.917 RANDOM 1123 5.000 1462 1453 NULL ) Structure too young - skipping > (1i9a 2.50 2001 0.229 0.279 334 11 3.293 RANDOM 3638 NULL 1464 1455 NULL ) ERROR --- Rfree <= R-value > (1hso 2.50 2000 0.248 0.191 672 26 3.869 RANDOM 1185 5.000 1460 1451 NUL L) Structure too young - skipping > (1hwx 2.50 2001 0.170 0.230 2712 114 4.204 RANDOM 4773 NULL 1461 1452 NU LL) Structure too young - skipping > (1hi6 2.55 2001 0.284 0.329 399 17 4.261 RANDOM 1472 5.0 1482 1473 NULL) Structure too young - skipping > (1i01 2.60 2001 0.228 0.250 1559 15 0.962 RANDOM 2826 NULL 1531 1521 NUL L) Structure too old - skipping > (1nih 2.6 1990 0.214 NULL 526 12 2.281 NULL NULL NULL 1958 1700 NULL) Structure too young - skipping > (1hv5 2.60 2001 0.218 0.262 885 32 3.616 RANDOM 5828 10.200 1529 1519 NU LL) Structure too young - skipping > (1hyq 2.60 2001 0.206 0.225 209 8 3.828 RANDOM 543 NULL 1530 1520 NULL) ERROR --- Rfree <= R-value > (1dd1 2.62 1999 0.218 0.175 645 27 4.186 RANDOM 1395 4.900 1751 1500 HAS _AN_OMAP_IN_EDS) ERROR --- Rfree <= R-value > (1he6 2.65 2000 0.219 0.219 354 10 2.825 RANDOM 1619 0.9 1536 1526 NULL) Structure too young - skipping > (1hjc 2.65 2001 0.223 0.263 218 15 6.881 RANDOM 876 5.0 1537 1527 NULL) Structure too young - skipping > (1i1c 2.7 2001 0.241 0.279 382 11 2.880 RANDOM 1375 10.200 1573 1563 NUL L) Structure too young - skipping > (1ioi 2.7 2001 0.210 0.243 756 23 3.042 RANDOM NULL NULL 1575 1565 NULL) Structure too young - skipping > (1i3o 2.7 2001 0.248 0.278 635 30 4.724 RANDOM 1244 5.000 1574 1564 NULL ) CAUTION - many Ramachandran outliers ! > (1atu 2.7 1997 0.195 NULL 350 110 31.429 NULL NULL NULL 1430 1203 NULL) Structure too young - skipping > (1h8j 2.8 2001 0.185 0.191 354 7 1.977 RANDOM 1786 1.0 1634 1624 NULL) ERROR --- Rfree <= R-value > (1qjy 2.8 1999 0.233 0.233 750 24 3.200 RANDOM 3318 1.0 1221 1028 HAS_AN _OMAP_IN_EDS) Structure too old - skipping > (3ypi 2.8 1990 0.184 NULL 445 19 4.270 NULL NULL NULL 1326 1114 NULL) ERROR --- Rfree <= R-value > (1fvv 2.80 2000 0.260 0.260 1058 50 4.726 RANDOM 5137 10.000 1625 1615 N ULL) Structure too young - skipping > (1hwm 2.80 2001 0.194 0.285 477 33 6.918 5%_OF_ALL_REFLECTIONS_ 636 NULL 1637 1627 NULL) Structure too young - skipping > (1hv4 2.80 2001 0.197 0.243 1068 92 8.614 RANDOM 2752 10.100 1636 1626 N ULL) Structure too young - skipping > (1hwz 2.80 2001 0.250 0.300 2712 252 9.292 RANDOM NULL NULL 1639 1629 NU LL) Structure too young - skipping > (1i1a 2.80 2001 0.222 0.292 720 75 10.417 RANDOM 1195 4.800 1640 1630 NU LL) Structure too young - skipping > (1hwn 2.80 2001 0.264 0.328 479 51 10.647 5%_OF_TOTAL_ 613 NULL 1638 162 8 NULL) CAUTION - many Ramachandran outliers ! > (1uor 2.80 1998 0.231 NULL 567 191 33.686 NULL NULL NULL 1256 1061 NULL) CAUTION - many Ramachandran outliers ! > (4rcr 2.8 1991 0.227 NULL 706 282 39.943 NULL NULL NULL 1335 1121 NULL) ERROR --- Rfree <= R-value > (1d9g 2.90 1999 0.308 0.218 220 7 3.182 RANDOM 661 NULL 797 644 NULL) Structure too young - skipping > (1i4h 2.90 2001 0.208 0.281 416 24 5.769 RANDOM 450 NULL 1676 1666 NULL) ERROR --- Rfree <= R-value > (1eji 2.90 2000 0.271 0.228 1748 182 10.412 RANDOM 5780 10.100 1654 1644 NULL) Structure too young - skipping > (1hwo 2.90 2001 0.237 0.339 477 56 11.740 5%_OF_TOTAL_ 518 NULL 1675 166 5 NULL) CAUTION - many Ramachandran outliers ! > (1an4 2.9 1997 0.236 NULL 120 42 35.000 NULL NULL NULL 750 600 NULL) Structure too young - skipping > (1hux 3.00 2001 0.236 0.279 458 15 3.275 RANDOM 2125 NULL 1726 1712 NULL ) ERROR --- Rfree <= R-value > (1zoo 3.0 1996 0.279 0.264 348 12 3.448 NULL NULL 5. 618 507 HAS_AN_OMAP _IN_EDS) Structure too young - skipping > (1hjb 3.0 2001 0.244 0.313 483 25 5.176 RANDOM 1264 4.8 1725 1711 NULL) Structure too young - skipping > (1io4 3.00 2001 0.247 0.299 356 20 5.618 RANDOM 1038 4.900 1730 1716 NUL L) ERROR --- Rfree <= R-value > (1qoj 3.0 1999 0.3266 0.286 87 7 8.046 _RANDOM_ NULL NULL 1736 1722 NULL ) Structure too young - skipping > (1hv8 3.00 2001 0.270 0.316 680 60 8.824 RANDOM 1888 NULL 1727 1713 NULL ) ERROR --- Rfree <= R-value > (5cox 3.0 1996 0.321 0.308 2052 216 10.526 RANDOM 4161 7.47 698 551 NULL ) Structure too young - skipping > (1hys 3.00 2001 0.274 0.316 1321 177 13.399 RANDOM 1053 NULL 1728 1714 N ULL) Structure too young - skipping > (1i4e 3.00 2001 0.236 0.296 504 82 16.270 RANDOM 1512 NULL 1729 1715 NUL L) CAUTION - many Ramachandran outliers ! > (1rfb 3.0 1993 0.192 NULL 226 70 30.973 NULL NULL NULL 582 480 NULL) CAUTION - many Ramachandran outliers ! > (1bvs 3.00 1998 0.274 0.319 1288 402 31.211 RANDOM 2490 5.1 438 356 HAS_ AN_OMAP_IN_EDS) CAUTION - many Ramachandran outliers ! > (1if1 3.0 1997 0.242 0.309 195 67 34.359 RANDOM NULL 10. 530 436 NULL) Structure too young - skipping > (1hwp 3.10 2001 0.219 0.317 477 61 12.788 5%_OF_ALL_REFLECTIONS_ 519 NUL L 1751 1735 NULL) CAUTION - many Ramachandran outliers ! > (1nro 3.1 1994 0.171 NULL 253 76 30.040 NULL NULL NULL 331 257 NULL) ERROR --- Rfree <= R-value > (1ft8 3.15 2000 0.303 0.303 813 54 6.642 RANDOM 1434 NULL 1754 1738 NULL ) Structure too young - skipping > (1hwy 3.2 2001 0.230 0.290 2712 282 10.398 RANDOM NULL NULL 1771 1754 NU LL) Structure too young - skipping > (1hw2 3.25 2001 0.235 0.278 408 33 8.088 RANDOM 898 NULL 1775 1757 NULL) CAUTION - many Ramachandran outliers ! > (1hqm 3.30 2000 0.300 0.360 2567 970 37.787 RANDOM 4156 NULL 1781 1763 N ULL) CAUTION - many Ramachandran outliers ! > (1ddq 3.30 1999 0.329 0.399 2329 1012 43.452 RANDOM 4156 NULL 155 102 NU LL) CAUTION - many Ramachandran outliers ! > (1kct 3.46 1996 0.184 NULL 351 129 36.752 NULL NULL NULL 131 80 HAS_AN_O MAP_IN_EDS) ERROR --- Rfree <= R-value > (1pmd 3.5 1996 0.225 0.211 0 0 0 NULL NULL 0.316 112 64 NULL) ERROR --- Rfree <= R-value > (357d 3.50 1997 0.312 0.265 0 0 0 RANDOM 372 11.0 127 77 NULL) CAUTION - many Ramachandran outliers ! > (1nrq 3.5 1994 0.217 NULL 235 71 30.213 NULL NULL NULL 108 61 NULL) Structure too young - skipping > (1hw0 3.70 2001 0.358 0.455 196 51 26.020 RANDOM 309 NULL 1795 1775 NULL ) ERROR --- Rfree <= R-value > (1bhz 3.9 1998 0.315 0.308 115 5 4.348 RANDOM NULL 10.0 53 21 NULL) CAUTION - many Ramachandran outliers ! > (1ffx 3.95 2000 0.267 0.367 1524 620 40.682 RANDOM 1144 4.600 1800 1779 NULL) ERROR --- Rfree <= R-value > (1wip 4.0 1996 0.452 0.427 676 160 23.669 NULL NULL NULL 50 20 NULL) Resolution too low - skipping > (1bhw 4.1 1998 0.315 0.321 1412 36 2.550 RANDOM NULL 10.0 42 15 NULL) Resolution too low - skipping > (1bhy 4.18 1998 0.338 0.323 424 20 4.717 RANDOM NULL 10.0 41 14 NULL) Resolution too low - skipping > (1c2o 4.20 1999 0.375 0.385 1948 126 6.468 NULL NULL NULL 40 13 NULL) Resolution too low - skipping > (1aos 4.2 1997 0.1879 0.2982 804 63 7.836 RANDOM NULL 8. 39 12 NULL) Resolution too low - skipping > (1dfk 4.20 1999 0.415 0.410 931 104 11.171 NULL 508 NULL 1803 1782 NULL) Resolution too low - skipping > (1dfl 4.20 1999 0.394 0.400 1944 227 11.677 NULL 1128 NULL 1804 1783 NUL L) Resolution too low - skipping > (1d8s 4.4 1999 0.4040 NULL 0 0 0 NULL NULL NULL 38 11 NULL) Resolution too low - skipping > (1pgg 4.5 1995 0.254 0.267 1014 40 3.945 NULL 945 10.0 36 10 NULL) Resolution too low - skipping > (1pgf 4.5 1995 0.254 0.267 1014 44 4.339 NULL 945 10.0 35 9 HAS_AN_OMAP_ IN_EDS) Resolution too low - skipping > (1frt 4.5 1994 0.423 NULL 535 35 6.542 NULL NULL NULL 34 8 NULL) Resolution too low - skipping > (1c2b 4.50 1999 0.369 0.351 487 32 6.571 NULL NULL NULL 31 7 NULL) Resolution too low - skipping > (1hvu 4.75 1998 0.340 0.413 3576 390 10.906 RANDOM NULL 5.5 30 6 NULL) Resolution too low - skipping > (1lbg 4.8 1996 0.260 NULL 0 0 0 NULL NULL NULL 29 5 NULL) Resolution too low - skipping > (1grz 5.00 1998 0.369 0.428 0 0 0 RANDOM 1139 9.0 24 3 NULL) Resolution too low - skipping > (1wiq 5.0 1996 0.422 0.442 674 159 23.591 NULL NULL NULL 28 4 NULL) Resolution too low - skipping > (1c1g 7.00 1999 0.404 NULL 1119 52 4.647 NULL NULL NULL 14 2 HAS_AN_OMAP _IN_EDS) Resolution too low - skipping > (1g4b 7.00 2000 0.401 0.432 2104 182 8.650 NULL 342 NULL 1805 1784 NULL) Resolution too low - skipping > (1qdb 25.0 1999 0.184 0.220 1317 20 1.519 RANDOM 7246 NULL 5 1 NULL) Finished reading ! Nr of entries read : ( 10888) Nr skipped (resol) : ( 18) Nr skipped (year) : ( 126) Nr skipped (<20 res) : ( 16) Nr of Rfree <= R-value : ( 54) Nr of entries kept : ( 10674) Nr with OMAP in EDS : ( 3254) Creating JPL file : (marten.jpl) Number of entries : ( 10674) File created Creating ODB file : (rv.odb) Number of entries : ( 10674) File created Creating ODB file : (rvrf.odb) Number of entries : ( 6560) File created Creating ODB file : (rvra.odb) Number of entries : ( 10215) File created Creating ODB file : (rvrfra.odb) Number of entries : ( 6316) File created Year 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 Total --------- ------- ------- ------- ------- ------- ------- ------- ------- ------- ------- ------- Nr X-ray structures 133 386 600 774 879 1100 1432 1727 1981 1662 10674 2.179 2.130 2.184 2.166 2.202 2.236 2.175 2.180 2.141 2.122 2.168 0.183 0.178 0.181 0.182 0.184 0.189 0.193 0.195 0.198 0.202 0.192 Nr with EDS OMAP 18 36 108 178 309 439 625 696 736 109 3254 % of total 13.5 9.3 18.0 23.0 35.2 39.9 43.6 40.3 37.2 6.6 30.5 Nr with Rfree 0 0 6 55 289 528 1022 1413 1713 1534 6560 % of total 0 0 1 7 33 48 71 82 86 92 61 0.000 0.000 0.263 0.265 0.256 0.258 0.257 0.255 0.251 0.250 0.254 0.000 0.000 0.072 0.068 0.062 0.063 0.060 0.057 0.050 0.047 0.054 Nr with Rama 127 382 567 731 833 1043 1354 1660 1908 1610 10215 % of total 95 99 95 94 95 95 95 96 96 97 96 385 305 319 340 387 433 461 466 486 549 448 <%-age Rama outl> 4.1 3.5 4.2 3.8 4.0 4.0 3.5 3.7 3.5 3.6 3.7 ---------------------------------------------- Entries with highest and lowest Resolution PDB-ID Resol Year R-value Rfree Rfree-R Nres Nout %out 1ejg 0.54 2000 0.090 0.094 0.004 37 0 0.00 1d8g 0.74 1999 0.105 0.131 0.026 0 0 0.00 1dj4 0.75 1999 0.135 -1.000 -1.000 0 0 0.00 3al1 0.75 1998 0.130 0.145 0.015 20 0 0.00 1gci 0.78 1998 0.099 0.103 0.003 232 4 1.72 1fn8 0.81 2000 0.108 -1.000 -1.000 189 2 1.06 1fy4 0.81 2000 0.108 -1.000 -1.000 189 2 1.06 1fy5 0.81 2000 0.124 -1.000 -1.000 189 2 1.06 1gdn 0.81 2000 0.108 -1.000 -1.000 189 2 1.06 1dpl 0.83 1999 0.117 0.121 0.004 0 0 0.00 1cbn 0.83 1991 0.106 -1.000 -1.000 42 3 7.14 3pyp 0.85 1998 0.133 0.155 0.022 110 4 3.64 1dy5 0.87 2000 0.101 0.120 0.019 234 9 3.85 1aa5 0.89 1997 0.124 -1.000 -1.000 0 0 0.00 1ab1 0.89 1997 0.147 -1.000 -1.000 40 0 0.00 1enn 0.89 2000 0.135 0.161 0.026 0 0 0.00 475d 0.89 1999 0.145 0.155 0.010 0 0 0.00 1byz 0.90 1998 0.085 0.105 0.020 40 0 0.00 1em0 0.90 2000 0.152 0.172 0.020 0 0 0.00 1et1 0.90 2000 0.137 0.140 0.003 62 0 0.00 ----------------- 1afv 3.70 1997 0.217 0.324 0.107 1082 113 10.44 1zqe 3.70 1996 0.171 -1.000 -1.000 303 34 11.22 1bsx 3.70 1998 0.249 0.299 0.050 476 54 11.35 1zqr 3.70 1996 0.173 -1.000 -1.000 303 38 12.54 3bcc 3.70 1998 0.289 0.321 0.032 1823 314 17.22 1g18 3.80 2000 0.215 0.277 0.062 272 32 11.77 1ned 3.80 1997 0.256 0.315 0.059 491 79 16.09 1qjz 3.80 1999 0.326 -1.000 -1.000 528 97 18.37 1fqy 3.80 2000 0.399 0.417 0.018 198 40 20.20 1b7u 3.80 1999 0.200 0.300 0.100 636 138 21.70 1fnw 3.90 2000 0.213 0.305 0.092 1680 228 13.57 1bpe 3.90 1994 0.199 -1.000 -1.000 258 50 19.38 1wio 3.90 1996 0.240 0.351 0.111 676 159 23.52 1ffx 3.95 2000 0.267 0.367 0.100 1524 620 40.68 1e8s 4.00 2000 0.388 -1.000 -1.000 0 0 0.00 1ewv 4.00 2000 0.254 0.328 0.074 818 43 5.26 1av1 4.00 1997 0.382 0.428 0.046 768 78 10.16 1aov 4.00 1996 0.210 0.320 0.110 622 69 11.09 1do2 4.00 1999 0.229 0.285 0.056 1532 295 19.26 1rvf 4.00 1996 0.212 -1.000 -1.000 950 198 20.84 ---------------------------------------------- Entries with highest and lowest R-values PDB-ID Resol Year R-value Rfree Rfree-R Nres Nout %out 1a7y 0.94 1998 0.058 0.068 0.010 0 0 0.00 1rb9 0.92 1997 0.073 -1.000 -1.000 45 1 2.22 1a7z 0.95 1998 0.080 0.097 0.017 0 0 0.00 1byz 0.90 1998 0.085 0.105 0.020 40 0 0.00 1c58 0.99 1999 0.088 0.100 0.012 0 0 0.00 1ejg 0.54 2000 0.090 0.094 0.004 37 0 0.00 1bz6 1.20 1998 0.090 -1.000 -1.000 141 3 2.13 3lzt 0.92 1997 0.093 0.114 0.021 115 1 0.87 1cex 1.00 1997 0.094 0.119 0.025 171 1 0.58 2igd 1.10 1997 0.097 0.125 0.028 55 1 1.82 1lks 1.10 1997 0.099 0.142 0.043 115 3 2.61 1gdq 0.93 2000 0.099 -1.000 -1.000 188 2 1.06 1c5e 1.10 1999 0.099 0.133 0.034 258 3 1.16 1ga6 1.00 2000 0.099 0.131 0.032 318 4 1.26 1bxo 0.95 1998 0.099 0.125 0.026 281 1 0.36 1gci 0.78 1998 0.099 0.103 0.003 232 4 1.72 1alx 1.20 1997 0.100 0.168 0.068 0 0 0.00 2ctb 1.50 1993 0.100 -1.000 -1.000 282 6 2.13 2fdn 0.94 1997 0.100 -1.000 -1.000 49 1 2.04 1dy5 0.87 2000 0.101 0.120 0.019 234 9 3.85 ----------------- 1bgy 3.00 1998 0.320 0.360 0.040 3675 329 8.95 1grl 2.80 1995 0.326 0.368 0.042 403 50 12.41 1qjz 3.80 1999 0.326 -1.000 -1.000 528 97 18.37 1ddq 3.30 1999 0.329 0.399 0.070 2329 1012 43.45 1a38 3.35 1998 0.330 0.390 0.060 414 58 14.01 1ewr 3.19 2000 0.331 0.361 0.030 881 112 12.71 1f1o 3.25 2000 0.336 0.355 0.019 0 0 0.00 1awq 1.58 1997 0.343 0.433 0.090 142 10 7.04 1gff 3.00 1995 0.352 -1.000 -1.000 567 60 10.58 1aum 3.00 1997 0.355 -1.000 -1.000 65 1 1.54 1awv 2.34 1997 0.358 0.460 0.102 852 75 8.80 1d3l 3.25 1999 0.371 -1.000 -1.000 0 0 0.00 1awt 2.55 1997 0.378 0.465 0.087 852 60 7.04 1av1 4.00 1997 0.382 0.428 0.046 768 78 10.16 1e8s 4.00 2000 0.388 -1.000 -1.000 0 0 0.00 1awr 1.58 1997 0.394 0.461 0.067 852 47 5.52 1qtj 3.00 1999 0.397 0.401 0.004 0 0 0.00 1fqy 3.80 2000 0.399 0.417 0.018 198 40 20.20 1ddc 2.50 1997 0.400 0.434 0.034 0 0 0.00 2irt 3.20 1994 0.440 -1.000 -1.000 0 0 0.00 ---------------------------------------------- Entries with highest and lowest Rfree PDB-ID Resol Year R-value Rfree Rfree-R Nres Nout %out 1a7y 0.94 1998 0.058 0.068 0.010 0 0 0.00 1ejg 0.54 2000 0.090 0.094 0.004 37 0 0.00 1a7z 0.95 1998 0.080 0.097 0.017 0 0 0.00 1c58 0.99 1999 0.088 0.100 0.012 0 0 0.00 1gci 0.78 1998 0.099 0.103 0.003 232 4 1.72 1byz 0.90 1998 0.085 0.105 0.020 40 0 0.00 3lzt 0.92 1997 0.093 0.114 0.021 115 1 0.87 8a3h 0.97 1999 0.104 0.118 0.014 273 5 1.83 1cex 1.00 1997 0.094 0.119 0.025 171 1 0.58 1dy5 0.87 2000 0.101 0.120 0.019 234 9 3.85 1dpl 0.83 1999 0.117 0.121 0.004 0 0 0.00 1bxo 0.95 1998 0.099 0.125 0.026 281 1 0.36 2igd 1.10 1997 0.097 0.125 0.028 55 1 1.82 7a3h 0.95 1998 0.110 0.130 0.020 273 6 2.20 1d8g 0.74 1999 0.105 0.131 0.026 0 0 0.00 1ga6 1.00 2000 0.099 0.131 0.032 318 4 1.26 2pvb 0.91 1998 0.109 0.132 0.022 98 0 0.00 1g66 0.90 2000 0.107 0.132 0.025 178 5 2.81 1c5e 1.10 1999 0.099 0.133 0.034 258 3 1.16 1nkd 1.07 1997 0.104 0.134 0.030 57 1 1.75 ----------------- 1ayw 2.40 1997 0.237 0.379 0.142 189 8 4.23 1ql1 3.10 1999 0.300 0.380 0.080 38 2 5.26 1lep 3.50 1995 0.230 0.380 0.150 0 0 0.00 1a8j 2.70 1998 0.220 0.380 0.160 392 66 16.84 1ifp 3.10 1998 0.170 0.390 0.220 38 0 0.00 1a38 3.35 1998 0.330 0.390 0.060 414 58 14.01 3req 2.70 1997 0.313 0.393 0.080 1239 85 6.86 1efg 2.70 1994 0.267 0.396 0.129 0 0 0.00 1ddq 3.30 1999 0.329 0.399 0.070 2329 1012 43.45 1qtj 3.00 1999 0.397 0.401 0.004 0 0 0.00 1qab 3.20 1999 0.278 0.403 0.125 757 181 23.91 1ar2 2.80 1997 0.254 0.415 0.161 99 6 6.06 1dpr 3.00 1995 0.241 0.417 0.176 250 42 16.80 1fqy 3.80 2000 0.399 0.417 0.018 198 40 20.20 1av1 4.00 1997 0.382 0.428 0.046 768 78 10.16 1awq 1.58 1997 0.343 0.433 0.090 142 10 7.04 1ddc 2.50 1997 0.400 0.434 0.034 0 0 0.00 1awv 2.34 1997 0.358 0.460 0.102 852 75 8.80 1awr 1.58 1997 0.394 0.461 0.067 852 47 5.52 1awt 2.55 1997 0.378 0.465 0.087 852 60 7.04 ---------------------------------------------- Entries with highest and lowest Rfree minus R PDB-ID Resol Year R-value Rfree Rfree-R Nres Nout %out 1pio 2.80 1995 0.189 0.189 0.000 484 29 5.99 1ckt 2.50 1999 0.238 0.239 0.001 67 4 5.97 1dvy 1.90 2000 0.202 0.203 0.001 211 3 1.42 1cvx 2.27 1999 0.237 0.238 0.001 0 0 0.00 1ayn 2.90 1997 0.229 0.230 0.001 750 21 2.80 462d 2.30 1999 0.211 0.212 0.001 0 0 0.00 1afq 1.80 1997 0.181 0.182 0.001 209 3 1.43 1f2n 2.80 2000 0.218 0.219 0.001 555 27 4.86 1fka 3.30 2000 0.304 0.305 0.001 807 118 14.62 1lia 2.80 1996 0.180 0.182 0.002 626 8 1.28 1cx2 3.00 1996 0.216 0.218 0.002 2052 245 11.94 1ej6 3.60 2000 0.206 0.208 0.002 4123 283 6.86 1xpb 1.90 1997 0.156 0.158 0.002 240 4 1.67 1hdw 2.60 2000 0.191 0.193 0.002 354 9 2.54 1kdn 2.00 1996 0.177 0.179 0.002 396 6 1.51 1f8v 3.00 2000 0.219 0.221 0.002 949 35 3.69 1aym 2.15 1997 0.230 0.233 0.003 750 19 2.53 1et1 0.90 2000 0.137 0.140 0.003 62 0 0.00 1g2y 1.00 2000 0.195 0.198 0.003 108 1 0.93 1b8p 1.90 1999 0.175 0.178 0.003 298 2 0.67 ----------------- 1a87 3.10 1998 0.173 0.316 0.143 273 3 1.10 3vsb 2.60 1997 0.155 0.299 0.144 234 10 4.27 1a8k 2.00 1998 0.174 0.319 0.145 344 16 4.65 1au0 2.60 1997 0.217 0.365 0.148 189 13 6.88 1ldp 3.10 1998 0.221 0.371 0.150 356 49 13.76 1xxb 2.60 1995 0.200 0.350 0.150 380 33 8.68 1lep 3.50 1995 0.230 0.380 0.150 0 0 0.00 1lil 2.65 1996 0.190 0.340 0.150 390 61 15.64 1lfb 2.80 1993 0.212 0.364 0.152 71 5 7.04 1jsw 2.80 1997 0.216 0.371 0.155 1652 260 15.74 1hul 2.40 1995 0.213 0.369 0.156 198 7 3.54 1c6v 3.00 1999 0.203 0.362 0.159 566 86 15.19 1au3 2.50 1997 0.193 0.353 0.160 189 11 5.82 1a8j 2.70 1998 0.220 0.380 0.160 392 66 16.84 1xxc 2.80 1995 0.210 0.370 0.160 384 54 14.06 1ar2 2.80 1997 0.254 0.415 0.161 99 6 6.06 1bg5 2.60 1998 0.193 0.359 0.166 237 68 28.69 1dpr 3.00 1995 0.241 0.417 0.176 250 42 16.80 1d9y 2.20 1999 0.185 0.377 0.192 287 5 1.74 1ifp 3.10 1998 0.170 0.390 0.220 38 0 0.00 ---------------------------------------------- Entries with highest and lowest Number of residues PDB-ID Resol Year R-value Rfree Rfree-R Nres Nout %out 3al1 0.75 1998 0.130 0.145 0.015 20 0 0.00 1rh4 1.90 1998 0.200 0.248 0.048 22 0 0.00 1coi 2.10 1996 0.214 0.285 0.071 27 1 3.70 1aie 1.50 1997 0.191 0.252 0.061 28 1 3.57 1a0m 1.10 1997 0.161 0.178 0.017 28 0 0.00 1c26 1.70 1999 0.192 -1.000 -1.000 29 0 0.00 1piq 1.80 1998 0.211 0.236 0.025 29 0 0.00 1ajj 1.70 1997 0.209 0.240 0.031 32 1 3.12 2erl 1.00 1995 0.129 0.165 0.036 36 1 2.78 1ejg 0.54 2000 0.090 0.094 0.004 37 0 0.00 1sdb 1.65 1996 0.198 -1.000 -1.000 37 0 0.00 1ifp 3.10 1998 0.170 0.390 0.220 38 0 0.00 1ql1 3.10 1999 0.300 0.380 0.080 38 2 5.26 2plh 2.50 1993 0.155 -1.000 -1.000 38 2 5.26 4hb1 2.90 1997 0.234 0.284 0.050 40 0 0.00 1byz 0.90 1998 0.085 0.105 0.020 40 0 0.00 1ab1 0.89 1997 0.147 -1.000 -1.000 40 0 0.00 1cnr 1.05 1993 0.105 -1.000 -1.000 40 0 0.00 1bhp 1.70 1995 0.198 0.281 0.083 40 0 0.00 1czq 1.50 1999 0.214 0.245 0.031 42 0 0.00 ----------------- 1cs0 2.00 1999 0.186 0.242 0.056 5248 115 2.19 1a9x 1.80 1998 0.191 -1.000 -1.000 5248 104 1.98 1c3o 2.10 1999 0.188 0.258 0.070 5260 129 2.45 1c30 2.00 1999 0.189 0.246 0.057 5260 117 2.22 1jdb 2.10 1997 0.179 -1.000 -1.000 5260 116 2.20 1ce8 2.10 1999 0.193 0.250 0.057 5260 135 2.57 1gav 3.40 1997 0.279 -1.000 -1.000 5310 270 5.09 1bxr 2.10 1998 0.195 -1.000 -1.000 5328 167 3.13 1pma 3.40 1994 0.221 -1.000 -1.000 5404 371 6.86 1g3i 3.41 2000 0.240 0.284 0.044 5421 753 13.89 1g0u 2.40 2000 0.250 0.303 0.053 5650 269 4.76 1g65 2.25 2000 0.283 0.336 0.053 5714 273 4.78 1qo5 2.50 1999 0.218 0.273 0.055 5770 284 4.92 1ryp 1.90 1997 0.286 0.330 0.044 5812 175 3.01 2btv 3.50 1998 0.266 -1.000 -1.000 5854 476 8.13 1qox 2.70 1999 0.255 -1.000 -1.000 6416 205 3.19 1der 2.40 1996 0.247 0.283 0.036 6608 357 5.40 1aon 3.00 1997 0.248 0.291 0.043 7209 857 11.89 1gho 2.50 2000 0.199 0.207 0.008 7512 173 2.30 1f49 2.50 2000 0.199 0.207 0.008 7512 173 2.30 ---------------------------------------------- Entries with highest and lowest Number of Ramachandran outliers PDB-ID Resol Year R-value Rfree Rfree-R Nres Nout %out 1ejg 0.54 2000 0.090 0.094 0.004 37 0 0.00 3al1 0.75 1998 0.130 0.145 0.015 20 0 0.00 2ihl 1.40 1993 0.165 -1.000 -1.000 116 0 0.00 1a1k 1.90 1997 0.210 0.259 0.049 80 0 0.00 1b0n 1.90 1998 0.199 0.245 0.046 124 0 0.00 1ab1 0.89 1997 0.147 -1.000 -1.000 40 0 0.00 1byz 0.90 1998 0.085 0.105 0.020 40 0 0.00 1et1 0.90 2000 0.137 0.140 0.003 62 0 0.00 1ckb 1.90 1995 0.183 -1.000 -1.000 57 0 0.00 2pvb 0.91 1998 0.109 0.132 0.022 98 0 0.00 1exx 1.67 2000 0.181 0.243 0.062 221 0 0.00 1b0y 0.93 1998 0.153 0.205 0.052 78 0 0.00 1fly 1.83 2000 0.171 0.232 0.061 116 0 0.00 1g6l 1.90 2000 0.195 0.284 0.089 168 0 0.00 1bxm 2.15 1998 0.189 0.229 0.040 93 0 0.00 4lzt 0.95 1997 0.114 0.147 0.033 115 0 0.00 1f94 0.97 2000 0.123 0.177 0.054 58 0 0.00 1pgb 1.92 1993 0.198 -1.000 -1.000 50 0 0.00 1ayf 1.85 1997 0.195 0.253 0.058 187 0 0.00 1b6k 1.85 1999 0.209 0.239 0.030 160 0 0.00 ----------------- 1der 2.40 1996 0.247 0.283 0.036 6608 357 5.40 1hnz 3.30 2000 0.218 0.261 0.043 2174 357 16.42 1ddx 3.00 1999 0.267 0.324 0.057 2052 367 17.89 1pma 3.40 1994 0.221 -1.000 -1.000 5404 371 6.86 1hnx 3.40 2000 0.232 0.280 0.048 2174 376 17.30 1hnw 3.40 2000 0.222 0.264 0.042 2174 382 17.57 1hr0 3.20 2000 0.218 0.261 0.043 2234 382 17.10 1bvs 3.00 1998 0.274 0.319 0.045 1288 402 31.21 1ort 3.00 1995 0.216 -1.000 -1.000 3768 456 12.10 2btv 3.50 1998 0.266 -1.000 -1.000 5854 476 8.13 3tat 3.50 1998 0.213 0.260 0.047 2190 499 22.78 1br4 3.62 1998 0.277 0.352 0.075 3464 532 15.36 1br1 3.50 1998 0.227 0.305 0.078 3480 545 15.66 1ffx 3.95 2000 0.267 0.367 0.100 1524 620 40.68 1cx8 3.20 1999 0.243 0.284 0.041 4768 636 13.34 1g3i 3.41 2000 0.240 0.284 0.044 5421 753 13.89 1fou 3.20 2000 0.290 0.360 0.070 2940 763 25.95 1aon 3.00 1997 0.248 0.291 0.043 7209 857 11.89 1hqm 3.30 2000 0.300 0.360 0.060 2567 970 37.79 1ddq 3.30 1999 0.329 0.399 0.070 2329 1012 43.45 ---------------------------------------------- Entries with highest and lowest Percentage Ramachandran outliers PDB-ID Resol Year R-value Rfree Rfree-R Nres Nout %out 1ejg 0.54 2000 0.090 0.094 0.004 37 0 0.00 3al1 0.75 1998 0.130 0.145 0.015 20 0 0.00 2ihl 1.40 1993 0.165 -1.000 -1.000 116 0 0.00 1a1k 1.90 1997 0.210 0.259 0.049 80 0 0.00 1b0n 1.90 1998 0.199 0.245 0.046 124 0 0.00 1ab1 0.89 1997 0.147 -1.000 -1.000 40 0 0.00 1byz 0.90 1998 0.085 0.105 0.020 40 0 0.00 1et1 0.90 2000 0.137 0.140 0.003 62 0 0.00 1ckb 1.90 1995 0.183 -1.000 -1.000 57 0 0.00 2pvb 0.91 1998 0.109 0.132 0.022 98 0 0.00 1exx 1.67 2000 0.181 0.243 0.062 221 0 0.00 1b0y 0.93 1998 0.153 0.205 0.052 78 0 0.00 1fly 1.83 2000 0.171 0.232 0.061 116 0 0.00 1g6l 1.90 2000 0.195 0.284 0.089 168 0 0.00 1bxm 2.15 1998 0.189 0.229 0.040 93 0 0.00 4lzt 0.95 1997 0.114 0.147 0.033 115 0 0.00 1f94 0.97 2000 0.123 0.177 0.054 58 0 0.00 1pgb 1.92 1993 0.198 -1.000 -1.000 50 0 0.00 1ayf 1.85 1997 0.195 0.253 0.058 187 0 0.00 1b6k 1.85 1999 0.209 0.239 0.030 160 0 0.00 ----------------- 1an2 2.90 1997 0.232 -1.000 -1.000 166 46 27.71 1spi 2.80 1994 0.203 -1.000 -1.000 1191 331 27.79 1xek 2.30 1998 0.197 0.304 0.107 115 32 27.83 1dlp 3.30 1999 0.189 0.293 0.104 1207 337 27.92 1a0a 2.80 1997 0.230 0.284 0.054 120 34 28.33 1bg5 2.60 1998 0.193 0.359 0.166 237 68 28.69 1rdd 2.80 1993 0.190 -1.000 -1.000 139 41 29.50 1nro 3.10 1994 0.171 -1.000 -1.000 253 76 30.04 1nrq 3.50 1994 0.217 -1.000 -1.000 235 71 30.21 1rfb 3.00 1993 0.192 -1.000 -1.000 226 70 30.97 1bvs 3.00 1998 0.274 0.319 0.045 1288 402 31.21 1atu 2.70 1997 0.195 -1.000 -1.000 350 110 31.43 1uor 2.80 1998 0.231 -1.000 -1.000 567 191 33.69 1if1 3.00 1997 0.242 0.309 0.067 195 67 34.36 1an4 2.90 1997 0.236 -1.000 -1.000 120 42 35.00 1kct 3.46 1996 0.184 -1.000 -1.000 351 129 36.75 1hqm 3.30 2000 0.300 0.360 0.060 2567 970 37.79 4rcr 2.80 1991 0.227 -1.000 -1.000 706 282 39.94 1ffx 3.95 2000 0.267 0.367 0.100 1524 620 40.68 1ddq 3.30 1999 0.329 0.399 0.070 2329 1012 43.45 Statistic 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 CC w/year --------- --------- --------- --------- --------- --------- --------- --------- --------- --------- --------- --------- Number of entries 133 386 600 774 879 1100 1432 1727 1981 1662 0.973 ---------- --- --- --- --- --- --- --- --- --- ---- Resolution average 2.18 2.13 2.18 2.17 2.20 2.24 2.18 2.18 2.14 2.12 -0.208 Resolution st.dev. 0.48 0.41 0.42 0.42 0.46 0.45 0.45 0.46 0.46 0.47 0.422 Resolution 10th % 1.60 1.70 1.70 1.70 1.70 1.75 1.70 1.65 1.60 1.60 -0.307 Resolution median 2.10 2.00 2.10 2.10 2.15 2.20 2.10 2.10 2.10 2.00 -0.046 Resolution 90th % 3.00 2.80 2.80 2.80 2.90 2.80 2.80 2.80 2.80 2.80 -0.517 ---------- --- --- --- --- --- --- --- --- --- ---- R-value average 0.18 0.18 0.18 0.18 0.18 0.19 0.19 0.19 0.20 0.20 0.914 R-value st.dev. 0.03 0.02 0.03 0.03 0.03 0.02 0.03 0.03 0.03 0.03 0.261 R-value 10th % 0.15 0.15 0.15 0.15 0.15 0.16 0.16 0.16 0.16 0.17 0.892 R-value median 0.18 0.18 0.18 0.18 0.18 0.19 0.19 0.19 0.20 0.20 0.914 R-value 90th % 0.22 0.20 0.21 0.21 0.22 0.22 0.22 0.23 0.23 0.24 0.826 ---------- --- --- --- --- --- --- --- --- --- ---- Entries with Rfree 0 0 6 55 289 528 1022 1413 1713 1534 0.945 % with Rfree 0.00 0.00 1.00 7.11 32.88 48.00 71.37 81.82 86.47 92.30 0.970 Rfree average - - 0.26 0.27 0.26 0.26 0.26 0.25 0.25 0.25 -0.825 Rfree st.dev. - - 0.05 0.04 0.04 0.03 0.04 0.04 0.04 0.04 -0.327 Rfree 10th % - - - 0.22 0.20 0.22 0.21 0.21 0.20 0.21 -0.378 Rfree median - - - 0.26 0.25 0.26 0.25 0.25 0.25 0.25 -0.632 Rfree 90th % - - - 0.32 0.32 0.31 0.30 0.30 0.30 0.29 -0.953 % Rfree < 0.10 - - 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.07 0.510 % Rfree < 0.20 - - 0.00 3.64 8.30 2.84 5.38 6.86 7.94 6.78 0.684 % Rfree > 0.30 - - 16.67 20.00 15.22 10.61 11.25 11.18 7.94 6.32 -0.918 % Rfree > 0.40 - - 0.00 0.00 0.35 0.00 0.68 0.00 0.12 0.07 0.086 ---------- --- --- --- --- --- --- --- --- --- ---- Rfree-R average - - 0.07 0.07 0.06 0.06 0.06 0.06 0.05 0.05 -0.926 Rfree-R st.dev. - - 0.04 0.03 0.03 0.02 0.03 0.02 0.02 0.02 -0.823 Rfree-R 10th % - - - 0.03 0.03 0.03 0.03 0.03 0.02 0.02 -0.791 Rfree-R median - - - 0.06 0.06 0.06 0.06 0.05 0.05 0.04 -0.883 Rfree-R 90th % - - - 0.12 0.10 0.09 0.09 0.09 0.08 0.07 -0.932 % Rfree-R < 0.01 - - 0.00 3.64 2.08 0.95 0.68 1.13 1.40 1.37 -0.127 % Rfree-R < 0.05 - - 33.33 29.09 38.41 30.68 38.45 43.45 54.35 60.56 0.880 % Rfree-R > 0.10 - - 16.67 20.00 10.73 8.33 7.05 4.46 2.86 1.56 -0.941 % Rfree-R > 0.20 - - 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.247 ---------- --- --- --- --- --- --- --- --- --- ---- Entries with Ramacha 127 382 567 731 833 1043 1354 1660 1908 1610 0.974 % with Ramachandran 95.49 98.96 94.50 94.44 94.77 94.82 94.55 96.12 96.31 96.87 0.030 % Rama outl average 4.09 3.48 4.20 3.80 4.05 4.01 3.52 3.66 3.53 3.60 -0.516 % Rama outl st.dev. 4.39 3.53 4.35 3.88 3.99 3.67 3.39 3.55 3.55 3.69 -0.631 % Rama outl 10th % 0.72 0.35 0.76 0.87 0.65 0.84 0.94 0.81 0.70 0.86 0.482 % Rama outl median 3.03 2.27 2.82 2.68 2.68 3.06 2.61 2.73 2.52 2.56 -0.215 % Rama outl 90th % 8.33 8.23 9.93 8.02 9.93 9.10 7.04 7.25 7.36 7.28 -0.552 % Rama outl < 1.0 13.39 22.51 13.23 11.22 15.73 12.56 11.08 13.67 14.52 13.66 -0.310 % Rama outl < 5.0 73.23 77.23 75.84 78.80 74.07 75.26 80.06 79.04 79.82 80.43 0.725 % Rama outl > 10.0 5.51 5.24 9.35 6.43 9.96 7.57 4.06 5.00 5.56 5.84 -0.248 % Rama outl > 20.0 0.79 0.52 1.23 0.96 0.84 0.38 0.74 0.72 0.73 0.87 -0.117 ---------- --- --- --- --- --- --- --- --- --- ---- Nr of proteins 127 382 567 731 833 1043 1354 1660 1908 1610 0.974 % Proteins 95.49 98.96 94.50 94.44 94.77 94.82 94.55 96.12 96.31 96.87 0.030 Nr prot res average 385.35 304.57 318.91 339.98 387.16 432.93 460.50 466.25 486.24 549.21 0.899 Nr prot res st.dev. 387.69 271.67 241.43 354.07 395.03 482.29 543.04 524.92 528.03 625.55 0.879 Nr prot res 10th % 94.00 101.00 106.00 115.00 117.00 117.00 113.00 116.00 124.00 124.00 0.902 Nr prot res median 257.00 231.00 251.00 260.00 288.00 297.00 306.00 312.00 332.00 364.00 0.953 Nr prot res 90th % 738.00 636.00 679.00 666.00 797.00 920.00 896.00 876.00 1011.00 1066.00 0.908 < 100 residues 11.81 8.90 7.41 5.20 5.88 6.42 5.83 5.60 4.35 2.67 -0.878 < 300 residues 63.78 69.63 62.26 61.15 53.42 50.24 49.19 48.55 44.97 42.42 -0.957 > 600 residues 17.32 11.52 13.40 11.63 15.49 20.33 21.27 21.63 24.32 28.39 0.861 > 1000 residues 7.09 2.09 2.12 3.15 4.80 8.15 8.86 7.89 10.17 11.06 0.789 ----------------- Max % Rama outl 39.9 24.0 31.0 30.2 26.6 36.8 35.0 33.7 43.5 40.7 Abracadabramaward 4rcr 1glu 1rfb 1nrq 1gyl 1kct 1an4 1uor 1ddq 1ffx *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** Version - 011113/0.8 Started - Tue Nov 13 20:23:17 2001 Stopped - Tue Nov 13 20:23:23 2001 CPU-time taken : User - 5.1 Sys - 0.1 Total - 5.3 *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** >>>>>>>>>>>>>> USF .... Uppsala Software Factory <<<<<<<<<<<<<< >>>>>>>>>> This program: (C) 1992-2001, G J Kleywegt <<<<<<<<<< >>>>>>>>>>>>>>>> E-mail: gerard@xray.bmc.uu.se <<<<<<<<<<<<<<<< >>>>>>>>>>>>>>>>>> http://xray.bmc.uu.se/usf <<<<<<<<<<<<<<<<<< *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL *** RVAL ***