Acta Crystallographica Section D

Biological Crystallography

Volume 58, Part 11 (November 2002)


High-throughput structure determination

Proceedings of the CCP4 study weekend

[Buy print version] A printed copy of this issue is available for purchase

[Preface]
[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Tools for enabling high-throughput structural biology at the Henry Wellcome Building for Genomic Medicine and Oxford Protein Production Facility: top-left, PCR machines; top-right, chromatography columns; bottom-left, nanolitre despenser for crystallization trials; bottom-right, data storage/archival robot.

research papers


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Acta Cryst. (2002). D58, 1897-1900  [ doi:10.1107/S0907444902015160 ]

The SUPERFAMILY database in structural genomics

J. Gough

Synopsis: The use of the SUPERFAMILY hidden Markov model library in structural genomics is discussed. Target selection is addressed as well as its use for more general inquiry.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1901-1906  [ doi:10.1107/S0907444902016608 ]

The prospects of protein nanocrystallography

E. R. Bodenstaff, F. J. Hoedemaeker, M. E. Kuil, H. P. M. de Vrind and J. P. Abrahams

Synopsis: Progress in the development of nanocrystallography is discussed and the remaining bottlenecks are highlighted.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1907-1914  [ doi:10.1107/S0907444902016633 ]

Towards the automated evaluation of crystallization trials

J. Wilson

Synopsis: A method for the classification of images from crystallization experiments is described.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1915-1923  [ doi:10.1107/S0907444902016840 ]

Computational analysis of crystallization trials

G. Spraggon, S. A. Lesley, A. Kreusch and J. P. Priestle

Synopsis: A system for the automatic classification of images from crystallization trials for use in conjunction with a high-throughput robotic crystallization platform is described.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1924-1928  [ doi:10.1107/S0907444902016864 ]

Automation of the collection and processing of X-ray diffraction data - a generic approach

A. G. W. Leslie, H. R. Powell, G. Winter, O. Svensson, D. Spruce, S. McSweeney, D. Love, S. Kinder, E. Duke and C. Nave

Synopsis: Fully automated data collection and processing would greatly enhance the efficiency of third-generation synchrotron beamlines. A scheme for achieving this goal in a cost-effective and generic way is outlined.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1929-1936  [ doi:10.1107/S0907444902016116 ]

Ongoing developments in CCP4 for high-throughput structure determination

M. D. Winn, A. W. Ashton, P. J. Briggs, C. C. Ballard and P. Patel

Synopsis: An overview of the activities of the Collaborative Computational Project Number 4 in protein crystallography is presented.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1937-1940  [ doi:10.1107/S0907444902016438 ]

Automated structure solution, density modification and model building

T. C. Terwilliger

Synopsis: A procedure for fully automatic structure solution and initial model building is described

Online 21 October 2002


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Acta Cryst. (2002). D58, 1941-1947  [ doi:10.1107/S0907444902016621 ]

ACORN in CCP4 and its applications

J.-X. Yao

Synopsis: ACORN facilitates ab initio phasing for protein structures with atomic resolution data. Dynamic density modification and real-space Sayre equation refinement are presented.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1948-1954  [ doi:10.1107/S0907444902016657 ]

PHENIX: building new software for automated crystallographic structure determination

P. D. Adams, R. W. Grosse-Kunstleve, L.-W. Hung, T. R. Ioerger, A. J. McCoy, N. W. Moriarty, R. J. Read, J. C. Sacchettini, N. K. Sauter and T. C. Terwilliger

Synopsis: PHENIX, a new software system for automated crystallographic structure determination, is described.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1955-1957  [ doi:10.1107/S0907444902015391 ]

The CCP4 molecular-graphics project

E. Potterton, S. McNicholas, E. Krissinel, K. Cowtan and M. Noble

Synopsis: A new project to develop an open-source molecular-graphics package is described.

Online 21 October 2002


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Acta Cryst. (2002). D58, 1958-1967  [ doi:10.1107/S0907444902016645 ]

One-and-a-half wavelength approach

Z. Dauter

Synopsis: SAD phasing may often be successful in cases intended for MAD, leading to structure solution before the second MAD-wavelength data collection is finished. The background of SAD phasing is presented using various vector diagrams.

Online 21 October 2002


 

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Acta Cryst. (2002). D58, 1968-1970  [ doi:10.1107/S0907444902016852 ]

From information management to protein annotation: preparing protein structures for drug discovery

T. Peat, E. de La Fortelle, J. Culpepper and J. Newman

Synopsis: For high-throughput structure determination to have a transforming impact on drug discovery, a whole integrated system of information management, experimental design, quality control, reproducibility checks and in-depth structure analysis needs to be put in place. This is being performed by SGX.

Online 21 October 2002


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