Zero-dose extrapolation as part of macromolecular synchrotron data reduction

Diederichs, Kay; McSweeney, Sean; Ravelli, Raimond B. G.

Zero-dose extrapolation as part of macromolecular synchrotron data reduction

Dateien

Zero_dose_extrapolation_as_part_of_macromolecular_synchrotron_data_reduction.pdfGröße: 708.81 KBDownloads: 435

Datum

2003

Autor:innen

Diederichs, Kay

McSweeney, Sean

Ravelli, Raimond B. G.

Publikationstyp

Zeitschriftenartikel

unikn.publication.listelement.citation.prefix.version.undefined

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.

Fachgebiet (DDC)

570 Biowissenschaften, Biologie

Schlagwörter

radiation damage, zero-dose extrapolation

Zitieren

ISO 690

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/S0907444903006516

BibTex

@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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