Acta Crystallographica Section D

Biological Crystallography

Volume 69, Part 7 (July 2013)


Data collection and processing

Proceedings of the CCP4 study weekend

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


[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Speakers at the 2012 CCP4 Study Weekend and a selection of images from the articles in this special issue.

introduction


 

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Acta Cryst. (2013). D69, 1193-1194  [ doi:10.1107/S0907444913016107 ]

Data collection and processing

J. P. Turkenburg and K. E. McAuley

Synopsis: An introduction to the proceedings of the CCP4 Study Weekend held at the University of Warwick on the 5-6 January 2012.

Online 19 June 2013


research papers


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Acta Cryst. (2013). D69, 1195-1203  [ doi:10.1107/S0907444912048524 ]

Autoindexing diffraction images with iMosflm

H. R. Powell, O. Johnson and A. G. W. Leslie

Synopsis: The principles of one-dimensional FFT-based autoindexing of diffraction images are described together with practical issues that may arise. A procedure for indexing multiple lattices as implemented in iMosflm is presented.

Online 13 June 2013


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Acta Cryst. (2013). D69, 1204-1214  [ doi:10.1107/S0907444913000061 ]

How good are my data and what is the resolution?

P. R. Evans and G. N. Murshudov

Synopsis: The new scaling program AIMLESS is described and tests of refinements at different resolutions are compared with analyses from the scaling step.

Online 13 June 2013


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Acta Cryst. (2013). D69, 1215-1222  [ doi:10.1107/S0907444913001121 ]

Better models by discarding data?

K. Diederichs and P. A. Karplus

Synopsis: Making the most of hard-won data in protein crystallography: to keep or not to keep, that is the question.

Online 15 June 2013


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Acta Cryst. (2013). D69, 1223-1230  [ doi:10.1107/S0907444913009700 ]

A Medipix quantum area detector allows rotation electron diffraction data collection from submicrometre three-dimensional protein crystals

I. Nederlof, E. van Genderen, Y.-W. Li and J. P. Abrahams

Synopsis: An ultrasensitive Medipix2 detector allowed the collection of rotation electron-diffraction data from single three-dimensional protein nanocrystals for the first time. The data could be analysed using the standard X-ray crystallography programs MOSFLM and SCALA.

Online 15 June 2013


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Acta Cryst. (2013). D69, 1231-1240  [ doi:10.1107/S0907444913013620 ]

Crystallographic data processing for free-electron laser sources

T. A. White, A. Barty, F. Stellato, J. M. Holton, R. A. Kirian, N. A. Zatsepin and H. N. Chapman

Synopsis: A processing pipeline for diffraction data acquired using the `serial crystallography' methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah.

Online 15 June 2013


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Acta Cryst. (2013). D69, 1241-1251  [ doi:10.1107/S0907444913003880 ]

The use of a mini-[kappa] goniometer head in macromolecular crystallography diffraction experiments

S. Brockhauser, R. B. G. Ravelli and A. A. McCarthy

Synopsis: Hardware and software solutions for MX data-collection strategies using the EMBL/ESRF miniaturized multi-axis goniometer head are presented.

Online 15 June 2013


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Acta Cryst. (2013). D69, 1252-1259  [ doi:10.1107/S0907444913011359 ]

Visualization of membrane protein crystals in lipid cubic phase using X-ray imaging

A. J. Warren, W. Armour, D. Axford, M. Basham, T. Connolley, D. R. Hall, S. Horrell, K. E. McAuley, V. Mykhaylyk, A. Wagner and G. Evans

Synopsis: A comparison of X-ray diffraction and radiographic techniques for the location and characterization of protein crystals is demonstrated on membrane protein crystals mounted within lipid cubic phase material.

Online 15 June 2013


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Acta Cryst. (2013). D69, 1260-1273  [ doi:10.1107/S0907444913015308 ]

Decision making in xia2

G. Winter, C. M. C. Lobley and S. M. Prince

Synopsis: The basis for decision making in the program xia2 is described, alongside the framework to support these protocols. Where appropriate, applications of these protocols to interactive data processing are highlighted.

Online 18 June 2013


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Acta Cryst. (2013). D69, 1274-1282  [ doi:10.1107/S0907444913000863 ]

New Python-based methods for data processing

N. K. Sauter, J. Hattne, R. W. Grosse-Kunstleve and N. Echols

Synopsis: The Computational Crystallography Toolbox (cctbx) is a flexible software platform that has been used to develop high-throughput crystal-screening tools for both synchrotron sources and X-ray free-electron lasers. Plans for data-processing and visualization applications are discussed, and the benefits and limitations of using graphics-processing units are evaluated.

Online 18 June 2013


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Acta Cryst. (2013). D69, 1283-1288  [ doi:10.1107/S0907444913013619 ]

Collecting data in the home laboratory: evolution of X-ray sources, detectors and working practices

T. Skarzynski

Synopsis: Recent developments in X-ray crystallographic hardware related to structural biology research are presented and discussed.

Online 18 June 2013


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Acta Cryst. (2013). D69, 1289-1296  [ doi:10.1107/S0907444913001108 ]

How the ESRF helps industry and how they help the ESRF

S. Malbet-Monaco, G. A. Leonard, E. P. Mitchell and E. J. Gordon

Synopsis: The key features of the functionality facilitating proprietary use of the ESRF's structural biology beamlines are described, as are the major advantages, in terms of beamline evolution, of the interaction of the ESRF with the pharmaceutical industry.

Online 18 June 2013


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Acta Cryst. (2013). D69, 1297-1302  [ doi:10.1107/S090744491300958X ]

Microcrystal manipulation with laser tweezers

A. Wagner, R. Duman, B. Stevens and A. Ward

Synopsis: Optical trapping has successfully been applied to select and mount microcrystals for subsequent X-ray diffraction experiments.

Online 13 June 2013


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Acta Cryst. (2013). D69, 1303-1313  [ doi:10.1107/S0907444913013280 ]

Squeezing the most from every crystal: the fine details of data collection

T. Krojer, A. C. W. Pike and F. von Delft

Synopsis: This article gives an overview of techniques and procedures for efficient data collection at synchrotron sources.

Online 18 June 2013


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Acta Cryst. (2013). D69, 1314-1332  [ doi:10.1107/S0907444913001479 ]

Robust structural analysis of native biological macromolecules from multi-crystal anomalous diffraction data

Q. Liu, Q. Liu and W. A. Hendrickson

Synopsis: Anomalous diffraction signals from typical native macromolecules are very weak, frustrating their use in structure determination. Here, native SAD procedures are described for enhancing the signal to noise in anomalous diffraction by using multiple crystals are described. Five applications demonstrate that truly routine structure determination is possible without the need for heavy atoms.

Online 13 June 2013


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