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Title: Bayesian algorithms for recovering structure from single-particle diffraction snapshots of unknown orientation: a comparison

Journal Article · · Acta Crystallographica. Section A, Foundations of Crystallography
;  [1]
  1. Department of Physics, University of Wisconsin-Milwaukee, 1900 E. Kenwood Boulevard, Milwaukee, WI 53211 (United States)

X-ray free-electron lasers are being used to determine the three-dimensional structure of objects from random snapshots. The two apparently very different Bayesian algorithms capable of performing this at ultra-low signal are fundamentally the same. The advent of X-ray free-electron lasers promises the possibility to determine the structure of individual particles such as microcrystallites, viruses and biomolecules from single-shot diffraction snapshots obtained before the particle is destroyed by the intense femtosecond pulse. This program requires the ability to determine the orientation of the particle giving rise to each snapshot at signal levels as low as ~10{sup −2} photons per pixel. Two apparently different approaches have recently demonstrated this capability. Here we show they represent different implementations of the same fundamental approach, and identify the primary factors limiting their performance.

OSTI ID:
22347669
Journal Information:
Acta Crystallographica. Section A, Foundations of Crystallography, Vol. 67, Issue Pt 5; Other Information: PMCID: PMC3171899; PMID: 21844653; PUBLISHER-ID: mk5026; OAI: oai:pubmedcentral.nih.gov:3171899; Copyright (c) Moths and Ourmazd 2011; This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0108-7673
Country of Publication:
Denmark
Language:
English

Cited By (9)

Single-particle structure determination by X-ray free-electron lasers: Possibilities and challenges journal July 2015
X-ray lasers for structural and dynamic biology journal September 2012
High-resolution structure of viruses from random diffraction snapshots journal July 2014
Conformations of macromolecules and their complexes from heterogeneous datasets journal July 2014
Optimal mapping of x-ray laser diffraction patterns into three dimensions using routing algorithms journal October 2013
Incorporating particle symmetry into orientation determination in single-particle imaging journal August 2018
Mask-based approach to phasing of single-particle diffraction data. II. Likelihood-based selection criteria journal January 2019
Conformations of Macromolecules and their Complexes from Heterogeneous Datasets preprint January 2014
High-resolution structure of viruses from random diffraction snapshots preprint January 2014

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