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SPINE workshop on automated X-ray analysis: a progress report.

Bahar M, Ballard C, Cohen SX, Cowtan KD, Dodson EJ, Emsley P, Esnouf RM, Keegan R, Lamzin V, Langer G, Levdikov V, Long F, Meier C, Muller A, Murshudov GN, Perrakis A, Siebold C, Stein N, Turkenburg MG, Vagin AA, Winn M, Winter G, Wilson KS

The Division of Structural Biology and Oxford Protein Production Facility, The Wellcome Trust Centre for Human Genetics, Oxford, England.

The Structural Proteomics In Europe (SPINE) consortium contained a workpackage to address the automated X-ray analysis of macromolecules. The aim of this workpackage was to increase the throughput of three-dimensional structures while maintaining the high quality of conventional analyses. SPINE was able to bring together developers of software with users from the partner laboratories. Here, the results of a workshop organized by the consortium to evaluate software developed in the member laboratories against a set of bacterial targets are described. The major emphasis was on molecular-replacement suites, where automation was most advanced. Data processing and analysis, use of experimental phases and model construction were also addressed, albeit at a lower level.

Published 26 September 2006 in Acta Crystallogr D Biol Crystallogr, 62: 1170-83.
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