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Automated diffraction image analysis and spot searching for high-throughput crystal screening

2006; Wiley; Volume: 39; Issue: 1 Linguagem: Inglês

10.1107/s0021889805040677

1600-5767

Zepu Zhang, Nicholas K. Sauter, Henry van den Bedem, G. Snell, Ashley M. Deacon,

Metabolomics and Mass Spectrometry Studies

A new software package, DISTL ( Diffraction Image Screening Tool and Library ), for the rapid analysis of X-ray diffraction patterns collected from macromolecular crystals is presented. Within seconds, the program characterizes the strength and quality of the Bragg spots, determines the limiting resolution of the image, and identifies deleterious features such as ice-rings and intense salt reflections. The procedure also generates a reliable set of intense peaks for auto-indexing. The ability to classify a large number of crystals quickly will be especially useful at synchrotron and home-laboratory X-ray sources where automated crystal screening and data collection systems have been implemented.