title: SPINE workshop on automated X-ray analysis: a progress report.
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.
authors.affiliation: The Division of Structural Biology and Oxford Protein Production Facility, The Wellcome Trust Centre for Human Genetics, Oxford, England.
authors.forename: M
authors.initials: M
authors.lastname: Bahar
authors.forename: C
authors.initials: C
authors.lastname: Ballard
authors.forename: S X
authors.initials: SX
authors.lastname: Cohen
authors.forename: K D
authors.initials: KD
authors.lastname: Cowtan
authors.forename: E J
authors.initials: EJ
authors.lastname: Dodson
authors.forename: P
authors.initials: P
authors.lastname: Emsley
authors.forename: R M
authors.initials: RM
authors.lastname: Esnouf
authors.forename: R
authors.initials: R
authors.lastname: Keegan
authors.forename: V
authors.initials: V
authors.lastname: Lamzin
authors.forename: G
authors.initials: G
authors.lastname: Langer
authors.forename: V
authors.initials: V
authors.lastname: Levdikov
authors.forename: F
authors.initials: F
authors.lastname: Long
authors.forename: C
authors.initials: C
authors.lastname: Meier
authors.forename: A
authors.initials: A
authors.lastname: Muller
authors.forename: G N
authors.initials: GN
authors.lastname: Murshudov
authors.forename: A
authors.initials: A
authors.lastname: Perrakis
authors.forename: C
authors.initials: C
authors.lastname: Siebold
authors.forename: N
authors.initials: N
authors.lastname: Stein
authors.forename: M G W
authors.initials: MG
authors.lastname: Turkenburg
authors.forename: A A
authors.initials: AA
authors.lastname: Vagin
authors.forename: M
authors.initials: M
authors.lastname: Winn
authors.forename: G
authors.initials: G
authors.lastname: Winter
authors.forename: K S
authors.initials: KS
authors.lastname: Wilson
mesh_terms: D000465:Algorithms; D001331:Automation; D018360:Crystallography, X-Ray / Q000379:methods*; D003627:Data Interpretation, Statistical; D016208:Databases, Factual; D008956:Models, Chemical; D008958:Models, Molecular; D011487:Protein Conformation; D040901:Proteomics / Q000379:methods*; D011786:Quality Control; D012984:Software