An advanced workflow for single particle imaging with the limited data at an X-ray free-electron laser
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 AMO instrument at the Linac Coherent Light Source (LCLS) as part of the SPI initiative. Existing methods were modified to cope with the shortcomings of the experimental data: inaccessibility of information from the half of the detector and small fraction of single hits. 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 three-dimensional structure of the 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.
Keywords
Cite
@article{arxiv.2006.08345,
title = {An advanced workflow for single particle imaging with the limited data at an X-ray free-electron laser},
author = {Dameli Assalauova and Young Yong Kim and Sergey Bobkov and Ruslan Khubbutdinov and Max Rose and Roberto Alvarez and Jakob Andreasson and Eugeniu Balaur and Alice Contreras and Hasan DeMirci and Luca Gelisio and Janos Hajdu and Mark S. Hunter and Ruslan P. Kurta and Haoyuan Li and Matthew McFadden and Reza Nazari and Peter Schwander and Anton Teslyuk and Peter Walter and P. Lourdu Xavier and Chun Hong Yoon and Sahba Zaared and Viacheslav A. Ilyin and Richard A. Kirian and Brenda G. Hogue and Andrew Aquila and Ivan A. Vartanyants},
journal= {arXiv preprint arXiv:2006.08345},
year = {2020}
}
Comments
40 pages, 7 figures (main text), 2 tables (main text), 14 figures (supplementary information), 1 table (supplementary information)