Supplementary Material

Here you can find supplementary material for several of our papers.

  1. Not available yet ! SNAFU - to be published. Reference: GJ Kleywegt (2027 ?). To be published.

  2. Quality control and validation. Reference: GJ Kleywegt (2006). Quality control and validation. Methods Mol Biol, 364, 255-272.

  3. Retrieval and validation of structural information. Reference: GJ Kleywegt & H Hansson, "Retrieval and validation of structural information", In "Structural Genomics and High Throughput Structural Biology" (M Sundström, M Norin, A Edwards, Eds.), Taylor & Francis, Boca Raton, Chapter 10, pp. 185-222 (2005).

  4. EDS. Reference: GJ Kleywegt, MR Harris, J Zou, TC Taylor, A Wählby and TA Jones (2004). Acta Cryst, D60, 2240-2249.

  5. Indonesia - to be published. Reference: D Madsen, P Johansson, N Johansson, S Arent, MR Harris and GJ Kleywegt (2004 ?). Submitted.

  6. Protein-fold-comparison servers. Reference: M Novotny, D Madsen and GJ Kleywegt (2004). Proteins, 54, 260-270.

  7. Pound-wise but penny-foolish. Reference: GJ Kleywegt, K Henrick, EJ Dodson, & DMF van Aalten (2003). Pound-wise but penny-foolish - How well do micromolecules fare in macromolecular refinement ? Structure, 11, 1051-1059.

  8. EgFABP1. Reference: E Jakobsson, G Alvite, T Bergfors, A Esteves and GJ Kleywegt (2003). The crystal structure of Echinococcus granulosus fatty-acid-binding protein 1. Biochim. Biophys. Acta 1649, 40-50.

  9. Homo Crystallographicus - Quo vadis ? - raw data files, plots, etc. illustrating trends in resolution, R-values and Ramachandran-plot quality during the 1990s. Or try Harry Plotter ... a Java-based interactive plotting program which provides direct links between data points in a scatter plot and the corresponding page at the RCSB-PDB ! Reference: GJ Kleywegt and TA Jones (2002). Homo Crystallographicus - Quo vadis ? Structure 10, 465-472.

  10. CASP3 Comparative Modelling Assessment - plots etc. used in the evaluation of the homology models submitted to CASP3. Reference: TA Jones and GJ Kleywegt (1999). CASP3 comparative modelling evaluation. Proteins: Struct. Funct. Genet. Suppl. 3, 30-46.

  11. Rotamers revisited - lots of plots regarding the distribution of the side-chain torsion angles chi-1 to chi-4 in protein structures. Reference: GJ Kleywegt and TA Jones (1998). Databases in protein crystallography. Acta Cryst D54, 1119-1131.

  12. Validation of CA-only models - lots of information and plots regarding the geometry of the CA-backbone of protein structures. Reference: GJ Kleywegt (1997). Validation of protein models from CA coordinates alone. Journal of Molecular Biology, 273, 371-376.

  13. Ramachandran revisited - lots of information and plots regarding the distribution of the main-chain torsion angles phi and psi in protein structures. Reference: GJ Kleywegt and TA Jones (1996). Phi/psi-chology: Ramachandran revisited. Structure 4, 1395 - 1400.

  14. QDB (ftp) - a Quality DataBase (anno 1994) plus a program to query it. Reference: GJ Kleywegt (1996). Use of non-crystallographic symmetry in protein structure refinement. Acta Cryst D52, 842-857.

  15. CRABP (ftp) - coordinates and structure factors of proper and backwards-traced models of CRABP. These may be useful for teaching and for testing new validation techniques. Reference: GJ Kleywegt and TA Jones (1995). Where freedom is given, liberties are taken. Structure 3, 535-540.