Publikation: Zero-dose extrapolation as part of macromolecular synchrotron data reduction
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2003
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Acta Crystallographica, Section D. 2003, 59(5), pp. 903-909. ISSN 0907-4449. Available under: doi: 10.1107/S0907444903006516
Zusammenfassung
Radiation damage to macromolecular crystals at third-generation synchrotron sites constitutes a major source of systematic error in X-ray data collection. Here, a computational method to partially correct the observed intensities during data reduction is described and investigated. The method consists of a redundancy-based zero-dose extrapolation of a decay function that is fitted to the intensities of all observations of a unique reflection as a function of dose. It is shown in a test case with weak anomalous signal that this conceptually simple correction, when applied to each unique reflection, can significantly improve the accuracy of averaged intensities and single-wavelength anomalous dispersion phases and leads to enhanced experimental electron-density maps. Limitations of and possible improvements to the method are discussed.
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570 Biowissenschaften, Biologie
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radiation damage, zero-dose extrapolation
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DIEDERICHS, Kay, Sean MCSWEENEY, Raimond B. G. RAVELLI, 2003. Zero-dose extrapolation as part of macromolecular synchrotron data reduction. In: Acta Crystallographica, Section D. 2003, 59(5), pp. 903-909. ISSN 0907-4449. Available under: doi: 10.1107/S0907444903006516BibTex
@article{Diederichs2003Zerod-6590,
year={2003},
doi={10.1107/S0907444903006516},
title={Zero-dose extrapolation as part of macromolecular synchrotron data reduction},
number={5},
volume={59},
issn={0907-4449},
journal={Acta Crystallographica, Section D},
pages={903--909},
author={Diederichs, Kay and McSweeney, Sean and Ravelli, Raimond B. G.}
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