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

journal contribution
posted on 10.12.2020, 00:57 by D Assalauova, YY Kim, S Bobkov, R Khubbutdinov, M Rose, R Alvarez, J Andreasson, Eugeniu Balaur, A Contreras, H DeMirci, L Gelisio, J Hajdu, MS Hunter, RP Kurta, Haoyuan Li, M McFadden, R Nazari, P Schwander, A Teslyuk, P Walter, PL Xavier, CH Yoon, S Zaare, VA Ilyin, RA Kirian, BG Hogue, A Aquila, IA Vartanyants
© 2020. 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.

History

Publication Date

01/11/2020

Journal

IUCrJ

Volume

7

Issue

Part 6

Pagination

12p. (p. 1102-1113)

Publisher

International Union of Crystallography

ISSN

2052-2525

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The Author reserves all moral rights over the deposited text and must be credited if any re-use occurs. Documents deposited in OPAL are the Open Access versions of outputs published elsewhere. Changes resulting from the publishing process may therefore not be reflected in this document. The final published version may be obtained via the publisher’s DOI. Please note that additional copyright and access restrictions may apply to the published version.

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