SPINE workshop on automated X-ray analysis: a progress report.
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.
Bahar
M
M
The Division of Structural Biology and Oxford Protein Production Facility, The Wellcome Trust Centre for Human Genetics, Oxford, England.
Ballard
C
C
Cohen
S X
SX
Cowtan
K D
KD
Dodson
E J
EJ
Emsley
P
P
Esnouf
R M
RM
Keegan
R
R
Lamzin
V
V
Langer
G
G
Levdikov
V
V
Long
F
F
Meier
C
C
Muller
A
A
Murshudov
G N
GN
Perrakis
A
A
Siebold
C
C
Stein
N
N
Turkenburg
M G W
MG
Vagin
A A
AA
Winn
M
M
Winter
G
G
Wilson
K S
KS
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