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

✍ Scribed by Bahar, M. ;Ballard, C. ;Cohen, S. X. ;Cowtan, K. D. ;Dodson, E. J. ;Emsley, P. ;Esnouf, R. M. ;Keegan, R. ;Lamzin, V. ;Langer, G. ;Levdikov, V. ;Long, F. ;Meier, C. ;Muller, A. ;Murshudov, G. N. ;Perrakis, A. ;Siebold, C. ;Stein, N. ;Turkenburg, M. G. W. ;Vagin, A. A. ;Winn, M. ;Winter, G. ;Wilson, K. S.

• Publisher: International Union of Crystallography
• Year: 2006
• Tongue: English
• Weight: 548 KB
• Volume: 62
• Category: Article
• ISSN: 0907-4449
• DOI: 10.1107/s0907444906032197

✦ Synopsis

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.