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  TakeTwo: an indexing algorithm suited to still images with known crystal parameters

Ginn, H. M., Roedig, P., Kuo, A., Evans, G., Sauter, N. K., Ernst, O., et al. (2016). TakeTwo: an indexing algorithm suited to still images with known crystal parameters. Acta Crystallographica Section D: Structural Biology, 72(8), 956-965. doi:10.1107/S2059798316010706.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-1D2B-7 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-1D34-2
Genre: Journal Article

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2016
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© H. M. Ginn et al.

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http://dx.doi.org/10.1107/S2059798316010706 (Publisher version)
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 Creators:
Ginn, Helen Mary1, 2, Author
Roedig, Philip3, Author
Kuo, Anling4, Author
Evans, Gwyndaf2, Author
Sauter, Nicholas K.5, Author
Ernst, Oliver4, 6, Author
Meents, Alke3, Author
Müller-Werkmeister, Henrike4, 7, 8, Author              
Miller, R. J. Dwayne7, 8, 9, Author              
Stuart, David Ian1, 2, Author
Affiliations:
1Division of Structural Biology, Wellcome Trust Centre for Human Genetics, Roosevelt Drive, Oxford OX3 7BN, England, ou_persistent22              
2Diamond House, Harwell Science and Innovation Campus, Fermi Avenue, Didcot OX11 0QX, England, ou_persistent22              
3Deutsches Elektronen-Synchrotron, Notkestrasse 85, 22607 Hamburg, Germany, ou_persistent22              
4Department of Biochemistry, University of Toronto, King’s College Circle, Toronto, ON M5S 1A8, Canada, ou_persistent22              
5Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA, ou_persistent22              
6Department of Molecular Genetics, University of Toronto, King’s College Circle, Toronto, ON M5S 1A8, Canada, ou_persistent22              
7Miller Group, Atomically Resolved Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938288              
8Departments of Physics and Chemistry, University of Toronto, 80 St George Street, Toronto, ON M5S 1H6, Canada, ou_persistent22              
9Hamburg Centre for Ultrafast Imaging, University of Hamburg, Hamburg, Germany, ou_persistent22              

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Free keywords: TakeTwo; data processing; serial crystallography; XFELs; X-ray free-electron lasers
 Abstract: The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X-ray beam, providing significant three-dimensional information. On the other hand, shots from both X-ray free-electron lasers and serial synchrotron crystallo­graphy experiments are still images, in which the few three-dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit-cell dimensions and space group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image.

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Language(s): eng - English
 Dates: 2016-05-192016-07-012016-07-28
 Publication Status: Published online
 Pages: 10
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1107/S2059798316010706
 Degree: -

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Title: Acta Crystallographica Section D: Structural Biology
  Abbreviation : Acta Cryst. D
Source Genre: Journal
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Publ. Info: Chester, England : International Union of Crystallography
Pages: - Volume / Issue: 72 (8) Sequence Number: - Start / End Page: 956 - 965 Identifier: ISSN: 2059-7983
CoNE: /journals/resource/2059-7983