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

Muhammad Nasim Bahar(Centre for Human Genetics), Charles Ballard(Daresbury Laboratory), Serge X. Cohen(The Netherlands Cancer Institute), Kevin Cowtan(University of York), E. J. Dodson(University of York), Paul Emsley(University of York), R. M. Esnouf(Centre for Human Genetics), Ronan M. Keegan(Daresbury Laboratory), Victor S. Lamzin(European Molecular Biology Laboratory), Gerrit G. Langer(European Molecular Biology Laboratory), V.M. Levdikov(University of York), Fei Long(University of York), C. Meier(Centre for Human Genetics), André C. Müller(University of York), Garib N. Murshudov(University of York), Anastassis Perrakis(The Netherlands Cancer Institute), Christian Siebold(Centre for Human Genetics), Norman Stein(Daresbury Laboratory), Maria Turkenburg(University of York), A. A. Vagin(University of York), Martyn Winn(Daresbury Laboratory), Graeme Winter(Daresbury Laboratory), Keith S. Wilson(University of York)
Acta Crystallographica Section D Biological Crystallography
September 19, 2006
Cited by 13Open Access
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Abstract

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.


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