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

Acta Crystallogr D Biol Crystallogr. 2006 Oct;62(Pt 10):1170-83. doi: 10.1107/S0907444906032197. Epub 2006 Sep 19.

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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

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