Acta Crystallographica Section D

Biological Crystallography

Volume 62, Part 1 (January 2006)


Data collection and analysis

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: B-value increase inflicted by X-ray irradiation of a cryocooled crystal of apoferritin between sequential data sets 1 and 10 at beamline ID14-4, ESRF, Grenoble. Structures are coloured from blue (0 Å2) to red (70 Å2) (see p. 32).

research papers


 

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Acta Cryst. (2006). D62, 1-11  [ doi:10.1107/S0907444905034050 ]

Current state and prospects of macromolecular crystallography

Z. Dauter

Synopsis: The present situation and possible future developments of macromolecular crystallography are reviewed.

Online 14 December 2005


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Acta Cryst. (2006). D62, 12-18  [ doi:10.1107/S0907444905039570 ]

Instrumentation for synchrotron-radiation macromolecular crystallography

E. Girard, P. Legrand, O. Roudenko, L. Roussier, P. Gourhant, J. Gibelin, D. Dalle, M. Ounsy, A. W. Thompson, O. Svensson, M.-O. Cordier, S. Robin, R. Quiniou and J.-P. Steyer

Synopsis: This article aims to give synchrotron users an overview of the functioning of a synchrotron beamline and how the performance of various instruments combines to allow the collection of diffraction data.

Online 14 December 2005


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Acta Cryst. (2006). D62, 19-26  [ doi:10.1107/S0907444905036097 ]

Combinatorial library approaches for improving soluble protein expression in Escherichia coli

D. J. Hart and F. Tarendeau

Synopsis: This article reviews the progress in the field of optimization of genetic constructs for improved soluble protein expression and provides a general overview of relevant mutation methods, screens and selections.

Online 14 December 2005


 

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Acta Cryst. (2006). D62, 27-31  [ doi:10.1107/S0907444905032130 ]

A review of techniques for maximizing diffraction from a protein crystal in stilla

J. Newman

Synopsis: A review discussing some of the techniques that may extend the diffraction limits or otherwise improve the quality of the X-ray diffraction data from a crystal.

Online 14 December 2005


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Acta Cryst. (2006). D62, 32-47  [ doi:10.1107/S0907444905034207 ]

Cryocooling and radiation damage in macromolecular crystallography

E. F. Garman and R. L. Owen

Synopsis: Macromolecular cryocrystallographic methods and their rationale are reviewed, and our current limited understanding of radiation damage in cryocooled crystals is summarized.

Online 14 December 2005


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Acta Cryst. (2006). D62, 48-57  [ doi:10.1107/S0907444905039107 ]

The integration of macromolecular diffraction data

A. G. W. Leslie

Synopsis: Processing a set of diffraction images can be divided into three steps: autoindexing, accurate cell determination and finally integration. The basic procedures involved in each of these steps are described.

Online 14 December 2005


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Acta Cryst. (2006). D62, 58-64  [ doi:10.1107/S0907444905033998 ]

A quantitative approach to data-collection strategies

G. P. Bourenkov and A. N. Popov

Synopsis: Quantitative evaluation of the dependency of data-set statistics on the data-collection parameters are presented.

Online 14 December 2005


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Acta Cryst. (2006). D62, 65-71  [ doi:10.1107/S0907444905032646 ]

The care and nurture of undulator data sets

D. Flot, E. J. Gordon, D. R. Hall, G. A. Leonard, A. McCarthy, J. McCarthy, S. McSweeney, E. Mitchell, D. Nurizzo, R. G. B. Ravelli and W. Shepard

Synopsis: Guidelines for the collection of macromolecular crystallographic data at undulator X-ray sources are discussed.

Online 14 December 2005


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Acta Cryst. (2006). D62, 72-82  [ doi:10.1107/S0907444905036693 ]

Scaling and assessment of data quality

P. Evans

Synopsis: Putting intensity data on a consistent scale and analysing the agreement to determine data quality and determination of Laue group symmetry from observed intensities are described.

Online 14 December 2005


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Acta Cryst. (2006). D62, 83-95  [ doi:10.1107/S0907444905036759 ]

Intensity statistics in twinned crystals with examples from the PDB

A. A. Lebedev, A. A. Vagin and G. N. Murshudov

Synopsis: Analysis of the Protein Data Bank February 2004 release using such simple statistics as the R factor between potentially twin-related reflections identified cases with twinning. Careful consideration of these showed that noncrystallographic symmetry and twinning often occur together, causing serious problems with the determination of true crystal symmetry.

Online 14 December 2005


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Acta Cryst. (2006). D62, 96-101  [ doi:10.1107/S0907444905031537 ]

Some aspects of quantitative analysis and correction of radiation damage

K. Diederichs

Synopsis: Aspects of analysis and correction of radiation damage in macromolecular crystallography.

Online 14 December 2005


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Acta Cryst. (2006). D62, 102-107  [ doi:10.1107/S0907444905034281 ]

Industrial perspective on X-ray data collection and analysis

T. Skarzynski and J. Thorpe

Synopsis: Automated methods of protein crystallization, data collection and crystallographic computing have had a significant impact on the throughput of protein-ligand structures generated to support drug-discovery process. The high turnover of cocrystallization and crystal-soaking experiments often results in partially damaged crystals producing imperfect and difficult to process diffraction patterns, which, after careful processing, can reveal valuable structural information.

Online 14 December 2005


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Acta Cryst. (2006). D62, 108-115  [ doi:10.1107/S0907444905034992 ]

Structure determination of human semaphorin 4D as an example of the use of MAD in non-optimal cases

R. M. Esnouf, C. A. Love, K. Harlos, D. I. Stuart and E. Y. Jones

Synopsis: The methodology used in the structure determination of human semaphorin 4D based on MAD phasing is discussed.

PDB reference: 1olz

Online 14 December 2005


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Acta Cryst. (2006). D62, 116-124  [ doi:10.1107/S0907444905035237 ]

Entropy and surface engineering in protein crystallization

Z. S. Derewenda and P. G. Vekilov

Synopsis: Entropic effects play a critical role in protein crystallization. Mutational engineering of the surface of proteins aimed at the reduction of excess surface conformational entropy has potential to become an effective method to enhance the crystallizability of many proteins.

Online 14 December 2005


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