Acta Crystallographica Section D

Biological Crystallography

Volume 55, Part 10 (October 1999)


Data collection and processing

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: A diffraction pattern of lysozyme (p. 1703) and a surface representation of Semliki Forest virus (p. 1742).

research papers


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Acta Cryst. (1999). D55, 1631-1640  [ doi:10.1107/S0907444999008379 ]

Data processing

M. G. Rossmann and C. G. van Beek

Synopsis: Techniques are described for the autoindexing of X-ray diffraction oscillation patterns and for the relative scaling of a series of such patterns to form a complete three-dimensional data set.

Online October 1999


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Acta Cryst. (1999). D55, 1641-1653  [ doi:10.1107/S0907444999008653 ]

Cool data: quantity AND quality

E. Garman

Synopsis: Ways of optimizing X-ray cryo-data quality and quantity are discussed. The possible advantages/disadvantages of collecting X-ray data at 30  K instead of 100  K are also considered.

Online October 1999


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Acta Cryst. (1999). D55, 1654-1662  [ doi:10.1107/S0907444999008288 ]

Macromolecular crystallography with a third-generation synchrotron source

P. F. Lindley

Synopsis: Key features of the applications of the macromolecular crystallography beamlines at the ESRF are described.

Online October 1999


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Acta Cryst. (1999). D55, 1663-1668  [ doi:10.1107/S0907444999008380 ]

Matching X-ray source, optics and detectors to protein crystallography requirements

C. Nave

Synopsis: Properties such as the required size, divergence, wavelength spread and intensity of the X-ray beam, together with the size and resolution of the detector, are derived from the properties of protein crystals and their diffraction patterns.

Online October 1999


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Acta Cryst. (1999). D55, 1669-1671  [ doi:10.1107/S0907444999010689 ]

Experiences with CCD detectors on a home X-ray source

S. W. Muchmore

Synopsis: Charge-coupled device detectors are compared with other commercially available detectors and their use with home X-ray sources is discussed.

Online October 1999


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Acta Cryst. (1999). D55, 1672-1680  [ doi:10.1107/S0907444999009798 ]

Experiences and expectations of a novel X-ray microsource with focusing mirror. I

A. C. Bloomer and U. W. Arndt

Synopsis: The performance of the novel MicroSource X-ray generator is analysed and predictions are made for alternative designs of focusing optics. Relative performance of this microfocus tube and an optimized mirror system become increasingly advantageous with the study of ever-smaller crystals.

Online October 1999


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Acta Cryst. (1999). D55, 1681-1689  [ doi:10.1107/S090744499900997X ]

Optics systems for the home laboratory: caveat emptor

C. Yang, A. Courville and J. D. Ferrara

Synopsis: A detailed comparison of usable flux, spectral purity, divergence, beam profile and data quality for home-laboratory X-ray optics systems (total-reflection mirrors and multilayer monochromators) is presented.

Online October 1999


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Acta Cryst. (1999). D55, 1690-1695  [ doi:10.1107/S0907444999009506 ]

The Rossmann Fourier autoindexing algorithm in MOSFLM

H. R. Powell

Synopsis: A one-dimensional FFT indexing routine developed previously is discussed with particular reference to its implementation in MOSFLM. The method has been shown to be robust and reliable even for unfavourable test images.

Online October 1999


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Acta Cryst. (1999). D55, 1696-1702  [ doi:10.1107/S090744499900846X ]

Integration of macromolecular diffraction data

A. G. W. Leslie

Synopsis: Equations are derived for the summation integration and profile-fitted estimates of diffracted intensities and their standard errors. The advantages of profile fitting are discussed.

Online October 1999


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Acta Cryst. (1999). D55, 1703-1717  [ doi:10.1107/S0907444999008367 ]

Data-collection strategies

Z. Dauter

Synopsis: The optimal strategy of collecting X-ray diffraction data from macromolecular crystals using the rotation method is discussed in both quantitative and qualitative aspects.

Online October 1999


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Acta Cryst. (1999). D55, 1718-1725  [ doi:10.1107/S090744499900935X ]

The finer things in X-ray diffraction data collection

J. W. Pflugrath

Synopsis: The expectations and consequences of the processing of diffraction images with thick and thin rotation-angle increments are discussed. The d*TREK suite for processing images is briefly introduced.

Online October 1999


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Acta Cryst. (1999). D55, 1726-1732  [ doi:10.1107/S0907444999008392 ]

MAD data collection - current trends

M. A. Walsh, G. Evans, R. Sanishvili, I. Dementieva and A. Joachimiak

Synopsis: An outline of the steps involved in a MAD experiment are described, as well as recent experiences in ultrafast data collection.

Online October 1999


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Acta Cryst. (1999). D55, 1733-1741  [ doi:10.1107/S0907444999008355 ]

New processing tools for weak and/or spatially overlapped macromolecular diffraction patterns

D. Bourgeois

Synopsis: Deconvolution of overlapped spots, careful integration of weak spots and the use of statistical analysis tools are shown to improve the data quality of monochromatic data sets. The described techniques have been implemented in the integration software PrOW.

Online October 1999


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Acta Cryst. (1999). D55, 1742-1749  [ doi:10.1107/S0907444999009956 ]

Complementing crystallography: the role of cryo-electron microscopy in structural biology

J. M. Grimes, S. D. Fuller and D. I. Stuart

Synopsis: Cryo-electron microscopy cryo-EM) and crystallography are complimentary tools now available to the structural biologist. A brief discussion of the problems faced, and the advantages of cryo-Em and three-dimensional image reconstruction, along with three case studies, will be discussed.

Online October 1999


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Acta Cryst. (1999). D55, 1750-1758  [ doi:10.1107/S0907444999009968 ]

Analysis and characterization of data from twinned crystals

N. Chandra, K. R. Acharya and P. C. E. Moody

Synopsis: The detection and analysis of diffraction data from twinned macromolecular crystals is discussed, as is the recovery of useful data from these crystals.

Online October 1999


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Acta Cryst. (1999). D55, 1759-1764  [ doi:10.1107/S0907444999008471 ]

Detecting outliers in non-redundant diffraction data

R. J. Read

Synopsis: Although it is better, if possible, to collect highly redundant diffraction data, the most damaging outliers can be detected using structure-factor probability distributions.

Online October 1999


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Acta Cryst. (1999). D55, 1765-1770  [ doi:10.1107/S0907444999009348 ]

Protein microcrystals and the design of a microdiffractometer: current experience and plans at EMBL and ESRF/ID13

A. Perrakis, F. Cipriani, J.-C. Castagna, L. Claustre, M. Burghammer, C. Riekel and S. Cusack

Synopsis: Experiments with macromolecular microcrystals at the EMBL/ESRF have shown that this technique offers several advantages. A custom-designed microdiffractometer is being built to ease microcrystal handling.

Online October 1999


short communications


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Acta Cryst. (1999). D55, 1771-1772  [ doi:10.1107/S0907444999011117 ]

Some notes on choices in data collection

P. R. Evans

Synopsis: This paper presents a series of questions which should be considered in planning a data-collection experiment.

Online October 1999


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