Zero-dose extrapolation as part of macromolecular synchrotron data reduction
Zero-dose extrapolation as part of macromolecular synchrotron data reduction
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2003
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Acta Crystallographica, Section D ; 59 (2003), 5. - pp. 903-909. - ISSN 0907-4449
Abstract
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 Biosciences, Biology
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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. 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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