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  Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability

Gorel, A., Motomura, K., Fukuzawa, H., Doak, B., Grünbein, M. L., Hilpert, M., et al. (2017). Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability. Nature Communications, 8: 1170, pp. 1-8. doi:10.1038/s41467-017-00754-7.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002E-28CA-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-3EF0-B
Genre: Journal Article

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 Creators:
Gorel, Alexander1, Author              
Motomura, Koji, Author
Fukuzawa, Hironobu, Author
Doak, Bruce1, Author              
Grünbein, Marie Luise1, Author              
Hilpert, Mario1, Author              
Inoue, Ichiro, Author
Kloos, Marco1, Author              
Kovácsová, Gabriela1, Author              
Nango, Eriko, Author
Nass, Karol1, Author              
Roome, Christopher M.1, Author              
Shoeman, Robert L.1, Author              
Tanaka, Rie, Author
Tono, Kensuke, Author
Joti, Yasumasa, Author
Yabashi, Makina, Author
Iwata, So, Author
Foucar, Lutz1, Author              
Ueda, Kiyoshi, Author
Barends, Thomas R.M.1, Author              Schlichting, Ilme1, Author               more..
Affiliations:
1Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

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Free keywords: Biophysics; Nanocrystallography
 Abstract: Serial femtosecond crystallography at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems prone to radiation damage. However, de novo structure determination, i.e., without prior structural knowledge, is complicated by the inherent inaccuracy of serial femtosecond crystallography data. By its very nature, serial femtosecond crystallography data collection entails shot-to-shot fluctuations in X-ray wavelength and intensity as well as variations in crystal size and quality that must be averaged out. Hence, to obtain accurate diffraction intensities for de novo phasing, large numbers of diffraction patterns are required, and, concomitantly large volumes of sample and long X-ray free-electron laser beamtimes. Here we show that serial femtosecond crystallography data collected using simultaneous two-colour X-ray free-electron laser pulses can be used for multiple wavelength anomalous dispersion phasing. The phase angle determination is significantly more accurate than for single-colour phasing. We anticipate that two-colour multiple wavelength anomalous dispersion phasing will enhance structure determination of difficult-to-phase proteins at X-ray free-electron lasers.

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Language(s): eng - English
 Dates: 2017-05-262017-07-252017-10-27
 Publication Status: Published online
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1038/s41467-017-00754-7
 Degree: -

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Title: Nature Communications
  Abbreviation : Nat. Commun.
Source Genre: Journal
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Publ. Info: London : Nature Publishing Group
Pages: - Volume / Issue: 8 Sequence Number: 1170 Start / End Page: 1 - 8 Identifier: ISSN: 2041-1723
CoNE: https://pure.mpg.de/cone/journals/resource/2041-1723