Journal Article

PUBDB-2024-06028

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png A workflow for single-particle structure determination via iterative phasing of rotational invariants in fluctuation X-ray scattering

Berberich, T. B. ; Molodtsov, S. L. ; Kurta, R. (Corresponding author)XFEL.EU*

2024
Wiley-Blackwell [Erscheinungsort nicht ermittelbar]

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Please use a persistent id in citations: doi:10.1107/S1600576724000992  doi:10.3204/PUBDB-2024-06028

Abstract: Fluctuation X-ray scattering (FXS) offers a complementary approach for nano-and bioparticle imaging with an X-ray free-electron laser (XFEL), by extractingstructural information from correlations in scattered XFEL pulses. Here aworkflow is presented for single-particle structure determination using FXS. Theworkflow includes procedures for extracting the rotational invariants from FXSpatterns, performing structure reconstructions via iterative phasing of theinvariants, and aligning and averaging multiple reconstructions. The recon-struction pipeline is implemented in the open-source software xFrame and itsfunctionality is demonstrated on several simulated structures.

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Contributing Institute(s):

1. Theory (XFEL_E2_THE)

Research Program(s):

1. 6G13 - Accelerator of European XFEL (POF4-6G13) (POF4-6G13)

Experiment(s):

1. Experiments at XFEL

Appears in the scientific report 2024

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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