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Current state of automated crystallographic data analysis

Nature Structural Biology volume 7, pages 978–981 (2000)Cite this article

Abstract

A goal of structural biology — and of structural genomics in particular — is to improve the underlying methodology for high-throughput determination of three-dimensional structures of biological macromolecules. Here we address issues related to the development, automation and streamlining of the process of macromolecular X-ray crystal structure solution.

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References

  1. Report on the First International Structural Genomics Meeting. http://www.nigms.nih.gov/news/meetings/hinxton.html (2000).

  2. Uson, I. & Sheldrick, G.M. Curr. Opin. Struct. Biol. 9, 643–648 (1999).

    Article  CAS  Google Scholar 

  3. Turkenburg, J.P. & Dodson, E.J. Curr. Opin. Struct. Biol. 6, 604–610 ( 1996).

    Article  CAS  Google Scholar 

  4. Ogata, C.M. Nature Struct. Biol. 5, 638–640 (1998).

    Article  CAS  Google Scholar 

  5. Dauter, Z., Dauter, M. & Rajashankar, K.R. Acta. Crystallogr. D 56, 232 –237 (2000).

    Article  CAS  Google Scholar 

  6. Abrahams, J.P. & De Graaff, R.A. Curr. Opin. St.ruct. Biol. 8, 601–605 (1998).

    Article  CAS  Google Scholar 

  7. Lamzin, V.S. et al. Acta Crystallogr. D in the press ( 2000).

  8. Collaborative Computational Project Number 4. Acta Crystallogr. D 50, 760–763 (1994).

  9. Brunger, A.T. et al. Acta Crystallogr. D 54, 905– 921 (1998).

    Article  CAS  Google Scholar 

  10. Garman, E.F. & Schneider, T.R. J. Appl. Crystallogr. 30, 211–237 (1997).

    Article  Google Scholar 

  11. Ravelli, R.B. & McSweeney, S.M. Structure 8, 315–328 (2000).

    Article  CAS  Google Scholar 

  12. Otwinowski, Z. & Minor, W. Methods Enzymol. 276, 307–326 ( 1997).

    Article  CAS  Google Scholar 

  13. Leslie, A.G.W. CCP4 Newsletter (1992).

  14. Kabsch, W. J Appl Crystallogr. 26, 795–800 (1993).

    Article  CAS  Google Scholar 

  15. Pflugrath, J.W. Acta Crystallogr. D 55, 1718–1725 (1999).

    Article  CAS  Google Scholar 

  16. Rossmann, M.G. & van Beek, C.G. Acta Crystalogr. D 55, 1631–1653 ( 1999).

    Article  CAS  Google Scholar 

  17. Bourgeois, D. Acta Crystallogr. D 55, 1733–1741 (1999).

    Article  CAS  Google Scholar 

  18. Terwilliger, T.C. & Berendzen, J. Acta Crystallogr. D 55, 849–861 ( 1999).

    Article  CAS  Google Scholar 

  19. Fortelle de La, E. & Bricogne, G. Methods Enzymol. 276, 590–620 ( 1997).

    Google Scholar 

  20. Emsley, P. CCP4 Newsletter (1999).

  21. Weeks, C.M. & Miller, R. Acta Crystallogr. D 55 , 492–500 (1999).

    Article  CAS  Google Scholar 

  22. Oldfield, T.J. Meeting of the IUCr macromolecular computing school, http://www.iucr.org/iucr-top/comm/ccom/School96/iucr.html (1996).

    Google Scholar 

  23. McRee, D.E. J. Struct. Biol. 125, 156–165 (1999).

    Article  CAS  Google Scholar 

  24. Turk, D. PhD thesis, Technische Universitaet Muenchen (1992).

  25. Roussel, A. & Cambillau, C. Silicon Graphics geometry partners directory (Silicon Graphics Corp.;1991).

    Google Scholar 

  26. Jones, T.A., Zou, J.-Y., Cowan, S.W. & Kjeldgaard, M. Acta Crystallogr. A 47, 110–119 ( 1991).

    Article  Google Scholar 

  27. Kleywegt, G.J. & Jones, T.A. Acta Crystallogr. D 53, 179–185 ( 1997).

    Article  CAS  Google Scholar 

  28. Cowtan, K. Acta Crystallogr. D 54, 750–756 (1998).

    Article  CAS  Google Scholar 

  29. Perrakis, A., Morris, R. & Lamzin, V.S. Nature Struct. Biol. 6, 458 –463 (1999).

    Article  CAS  Google Scholar 

  30. Read, R.J. Acta Crystallogr. A 42, 140–149 (1986).

    Article  Google Scholar 

  31. Murhudov, G.N., Vagin, A.A. & Dodson, E.J. Acta Crystallogr. D 53, 240 –255 (1997).

    Article  Google Scholar 

  32. Tronrud, D.E. Methods Enzymol. 277, 306–319 (1997).

    Article  CAS  Google Scholar 

  33. Sheldrick, G.M. & Schneider, T.R. Methods Enzymol. 277, 319–343 (, 1997).

    Article  CAS  Google Scholar 

  34. Vriend, G. J. Mol. Graph. 8, 52–56 (1990).

    Article  CAS  Google Scholar 

  35. Laskowski, R.A., MacArthur, M.W., Moss, D.S. & Thornton, J.M. J. Appl. Crystallogr. 26, 283–291 (1993).

    Article  CAS  Google Scholar 

  36. Vaguine, A.A., Richelle, J. & Wodak, S.J. Acta Crystallogr. D 55, 191 –205 (1999).

    Article  CAS  Google Scholar 

  37. Dodson, E.J., Davies, G.J., Lamzin, V.S., Murshudov, G.N. & Wilson, K.S. Structure 6, 685–690 (1998).

    Article  CAS  Google Scholar 

  38. Wilson, K.S. et al. J. Mol. Biol. 276, 417– 436 (1998).

    Article  Google Scholar 

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Author notes

  1. Anastassis Perrakis

    Present address: Netherlands Cancer Institute, Plesmanlaan 121, 1066 CX, Amsterdam, The Netherlands

Authors and Affiliations

  1. European Molecular Biology Laboratory, Hamburg Outstation, c/o DESY, Notkestrasse 85, Hamburg, 22603, Germany

    Victor S. Lamzin

  2. European Molecular Biology Laboratory, Grenoble Outstation, c/o ILL, B.P. 156, 6 Rue Jules Horowitz, Grenoble, 38043, France

    Anastassis Perrakis

Authors
  1. Victor S. Lamzin
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  2. Anastassis Perrakis
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Corresponding author

Correspondence to Victor S. Lamzin.

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Lamzin, V., Perrakis, A. Current state of automated crystallographic data analysis. Nat Struct Mol Biol 7 (Suppl 11), 978–981 (2000). https://doi.org/10.1038/80763

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