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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.

Original publication

DOI

10.1107/s0907444906032197

Type

Journal article

Journal

Acta crystallographica. Section D, Biological crystallography

Publication Date

10/2006

Volume

62

Pages

1170 - 1183

Addresses

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

Keywords

Crystallography, X-Ray, Data Interpretation, Statistical, Proteomics, Protein Conformation, Algorithms, Models, Chemical, Models, Molecular, Automation, Quality Control, Software, Databases, Factual