Acta Crystallographica Section D

Biological Crystallography

Volume 58, Part 11 (November 2002)

High-throughput structure determination

Proceedings of the CCP4 study weekend

A printed copy of this issue is available for purchase

	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

research papers

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

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

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

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

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

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

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

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

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

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

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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