期刊
JOURNAL OF APPLIED CRYSTALLOGRAPHY
卷 45, 期 -, 页码 652-661出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0021889812019164
关键词
macromolecular crystallography; radiation damage; short wavelengths
Circumventing radiation damage remains a major problem for X-ray macromolecular crystallography. Analysis of diffraction data collected from normal-sized cryocooled lysozyme crystals shows that the dose required to collect a data set of prescribed resolution and signal-to-noise ratio, assuming an ideally efficient detector, decreases with increasing photon energy in the investigated 6.533 keV range. For example, the data collection efficiency is increased by a factor of similar to 8 from 8 to 33 keV. Monte Carlo simulations on lysozyme crystals in the range 580 keV, taking into account electron escape from samples of different size, also show a positive effect of high energy (albeit less pronounced than in experiments), especially for micrometre-sized samples, and suggest that the optimum energy range is similar to 2441 keV, depending on crystal size. The importance of counting pixel detectors with a good efficiency at high energy is underlined. Macromolecular crystallography beamlines should be modified, or purposely designed, in order to benefit from higher-energy radiation through reduction of global radiation damage, better data accuracy and extension of phasing by anomalous dispersion.
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