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  Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data

Nass, K., Meinhart, A., Barends, T. R. M., Foucar, L., Gorel, A., Aquila, A., et al. (2016). Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data. IUCrJ, 3(3), 180-191. doi:10.1107/S2052252516002980.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002A-1C8F-B Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-003E-6
Genre: Journal Article

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IUCrJ_epub_2016_980.pdf (Any fulltext), 2MB
 
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 Creators:
Nass, Karol1, Author              
Meinhart, Anton1, Author              
Barends, Thomas R. M.1, Author              
Foucar, Lutz1, Author              
Gorel, Alexander1, Author              
Aquila, Andrew, Author
Botha, Sabine1, Author              
Doak, R. Bruce1, Author              
Koglin, Jason, Author
Liang, Mengning, Author
Shoeman, Robert L.1, Author              
Williams, Garth, Author
Boutet, Sebastien, Author
Schlichting, Ilme1, Author              
Affiliations:
1Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

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Free keywords: serial femtosecond crystallography; SFX; X-ray free-electron lasers; XFELs; SAD phasing; single-wavelength anomalous diffraction
 Abstract: Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems that are prone to radiation damage. However, phasing XFEL data de novo is complicated by the inherent inaccuracy of SFX data, and only a few successful examples, mostly based on exceedingly strong anomalous or isomorphous difference signals, have been reported. Here, it is shown that SFX data from thaumatin microcrystals can be successfully phased using only the weak anomalous scattering from the endogenous S atoms. Moreover, a step-by-step investigation is presented of the particular problems of SAD phasing of SFX data, analysing data from a derivative with a strong anomalous signal as well as the weak signal from endogenous S atoms.

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Language(s): eng - English
 Dates: 2015-12-242016-02-182016-05-012016-05-09
 Publication Status: Published in print
 Pages: 12
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
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Title: IUCrJ
Source Genre: Journal
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Publ. Info: Chester : International Union of Crystallography
Pages: - Volume / Issue: 3 (3) Sequence Number: - Start / End Page: 180 - 191 Identifier: ISSN: 2052-2525