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

M. Bahar; C. Ballard; S. X. Cohen; K. D. Cowtan; E. J. Dodson; P. Emsley; R. M. Esnouf; R. Keegan; V. Lamzin; G. Langer; V. Levdikov; F. Long; C. Meier; A. Muller; G. N. Murshudov; A. Perrakis; C. Siebold; N. Stein; M. G. W. Turkenburg; A. A. Vagin; M. Winn; G. Winter; K. S. Wilson

doi:10.1107/S0907444906032197

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

M. Bahar, C. Ballard, S. X. Cohen, K. D. Cowtan, E. J. Dodson, P. Emsley, R. M. Esnouf, R. Keegan, V. Lamzin, G. Langer, V. Levdikov, F. Long, C. Meier, A. Muller, G. N. Murshudov, A. Perrakis, C. Siebold, N. Stein, M. G. W. Turkenburg, A. A. VaginM. Winn, G. Winter, K. S. Wilson

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	1170-1183
Number of pages	14
Journal	Acta Crystallographica. Section D, Biological Crystallography
Volume	62
DOIs	https://doi.org/10.1107/S0907444906032197
Publication status	Published - Oct 2006

Keywords

ELECTRON-DENSITY MAPS
PROTEIN DATA-BANK
MOLECULAR REPLACEMENT
DIFFRACTION DATA
MACROMOLECULAR STRUCTURES
TRANSLATION FUNCTIONS
MODEL
REFINEMENT
GRAPHICS
ARP/WARP

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10.1107/S0907444906032197

Crystallographic methods and software development in a high-throughput environment
Cowtan, K. (Principal investigator)
BBSRC (BIOTECHNOLOGY AND BIOLOGICAL SCIENCES RESEARCH COUNCIL)
1/12/05 → 14/04/09
Project: Research project (funded) › Research

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Bahar, M., Ballard, C., Cohen, S. X., Cowtan, K. D., Dodson, E. J., Emsley, P., Esnouf, R. M., Keegan, R., Lamzin, V., Langer, G., Levdikov, V., Long, F., Meier, C., Muller, A., Murshudov, G. N., Perrakis, A., Siebold, C., Stein, N., Turkenburg, M. G. W., ... Wilson, K. S. (2006). SPINE workshop on automated X-ray analysis: a progress report. Acta Crystallographica. Section D, Biological Crystallography, 62, 1170-1183. https://doi.org/10.1107/S0907444906032197

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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.",

keywords = "ELECTRON-DENSITY MAPS, PROTEIN DATA-BANK, MOLECULAR REPLACEMENT, DIFFRACTION DATA, MACROMOLECULAR STRUCTURES, TRANSLATION FUNCTIONS, MODEL, REFINEMENT, GRAPHICS, ARP/WARP",

author = "M. Bahar and C. Ballard and Cohen, {S. X.} and Cowtan, {K. D.} and Dodson, {E. J.} and P. Emsley and Esnouf, {R. M.} and R. Keegan and V. Lamzin and G. Langer and V. Levdikov and F. Long and C. Meier and A. Muller and Murshudov, {G. N.} and A. Perrakis and C. Siebold and N. Stein and Turkenburg, {M. G. W.} and Vagin, {A. A.} and M. Winn and G. Winter and Wilson, {K. S.}",

year = "2006",

month = oct,

doi = "10.1107/S0907444906032197",

language = "English",

volume = "62",

pages = "1170--1183",

journal = "Acta Crystallographica. Section D, Biological Crystallography",

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Bahar, M, Ballard, C, Cohen, SX, Cowtan, KD, Dodson, EJ, Emsley, P, Esnouf, RM, Keegan, R, Lamzin, V, Langer, G, Levdikov, V , Long, F, Meier, C, Muller, A, Murshudov, GN, Perrakis, A, Siebold, C, Stein, N, Turkenburg, MGW, Vagin, AA, Winn, M, Winter, G & Wilson, KS 2006, 'SPINE workshop on automated X-ray analysis: a progress report', Acta Crystallographica. Section D, Biological Crystallography, vol. 62, pp. 1170-1183. https://doi.org/10.1107/S0907444906032197

TY - JOUR

T1 - SPINE workshop on automated X-ray analysis: a progress report

AU - Bahar, M.

AU - Ballard, C.

AU - Cohen, S. X.

AU - Cowtan, K. D.

AU - Dodson, E. J.

AU - Emsley, P.

AU - Esnouf, R. M.

AU - Keegan, R.

AU - Lamzin, V.

AU - Langer, G.

AU - Levdikov, V.

AU - Long, F.

AU - Meier, C.

AU - Muller, A.

AU - Murshudov, G. N.

AU - Perrakis, A.

AU - Siebold, C.

AU - Stein, N.

AU - Turkenburg, M. G. W.

AU - Vagin, A. A.

AU - Winn, M.

AU - Winter, G.

AU - Wilson, K. S.

PY - 2006/10

Y1 - 2006/10

N2 - 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.

AB - 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.

KW - ELECTRON-DENSITY MAPS

KW - PROTEIN DATA-BANK

KW - MOLECULAR REPLACEMENT

KW - DIFFRACTION DATA

KW - MACROMOLECULAR STRUCTURES

KW - TRANSLATION FUNCTIONS

KW - MODEL

KW - REFINEMENT

KW - GRAPHICS

KW - ARP/WARP

U2 - 10.1107/S0907444906032197

DO - 10.1107/S0907444906032197

M3 - Article

SN - 0907-4449

VL - 62

SP - 1170

EP - 1183

JO - Acta Crystallographica. Section D, Biological Crystallography

JF - Acta Crystallographica. Section D, Biological Crystallography

ER -

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

Abstract

Keywords

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Projects

Crystallographic methods and software development in a high-throughput environment

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