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  An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser

Assalauova, D., Kim, Y. Y., Bobkov, S., Khubbutdinov, R., Rose, M., Alvarez, R., et al. (2020). An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser. IUCrJ, 7(6). doi:10.1107/S2052252520012798.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0007-45A2-4 Version Permalink: https://hdl.handle.net/21.11116/0000-0007-9F12-2
Genre: Journal Article

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This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
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Supporting information (pdf), a 3D intensity distribution of the PR772 virus (avi), the shape structure of the PR772 virus (avi), the 3D inner structure of the PR772 virus (avi), a visualization of the 2D structure of the PR772 virus (avi)
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https://dx.doi.org/10.1107/S2052252520012798 (Publisher version)
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 Creators:
Assalauova, D.1, Author
Kim, Y. Y.1, Author
Bobkov, S.1, Author
Khubbutdinov, R.1, Author
Rose, M.1, Author
Alvarez, R.1, Author
Andreasson, J.1, Author
Balaur, E.1, Author
Contreras, A.1, Author
DeMirci, H.1, Author
Gelisio, L.1, Author
Hajdu, J.1, Author
Hunter, M. S.1, Author
Kurta, R. P.1, Author
Li, H.1, Author
McFadden, M.1, Author
Nazari, R.1, Author
Schwander, P.1, Author
Teslyuk, A.1, Author
Walter, P.1, Author
Paulraj, L. X.2, 3, 4, Author           Yoon, C. H.1, AuthorZaare, S.1, AuthorIlyin, V. A.1, AuthorKirian, R. A.1, AuthorHogue, B. G.1, AuthorAquilan, A.1, AuthorVartanyants, I. A.1, Author more..
Affiliations:
1external, ou_persistent22              
2Center for Free Electron Laser Science (CFEL), DESY, ou_persistent22              
3International Max Planck Research School for Ultrafast Imaging & Structural Dynamics (IMPRS-UFAST), Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266714              
4SLAC National Accelerator Laborator, ou_persistent22              

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 Abstract: An improved analysis for single-particle imaging (SPI) experiments, using the limited data, is presented here. Results are based on a study of bacteriophage PR772 performed at the Atomic, Molecular and Optical Science instrument at the Linac Coherent Light Source as part of the SPI initiative. Existing methods were modified to cope with the shortcomings of the experimental data: inaccessibility of information from half of the detector and a small fraction of single hits. The general SPI analysis workflow was upgraded with the expectation-maximization based classification of diffraction patterns and mode decomposition on the final virus-structure determination step. The presented processing pipeline allowed us to determine the 3D structure of bacteriophage PR772 without symmetry constraints with a spatial resolution of 6.9 nm. The obtained resolution was limited by the scattering intensity during the experiment and the relatively small number of single hits.

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Language(s): eng - English
 Dates: 2020-06-172020-09-212020-11-01
 Publication Status: Published online
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S2052252520012798
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Title: IUCrJ
Source Genre: Journal
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Publ. Info: Chester CH1 2HU, England : International Union of Crystallography (IUCr)
Pages: - Volume / Issue: 7 (6) Sequence Number: - Start / End Page: - Identifier: ISSN: 2052-2525
CoNE: https://pure.mpg.de/cone/journals/resource/2052-2525