A workflow for single-particle structure determination via iterative phasing of rotational invariants in fluctuation X-ray scattering

© Tim B. Berberich et al. 2024.

Bibliographische Detailangaben
Veröffentlicht in:Journal of applied crystallography. - 1998. - 57(2024), Pt 2 vom: 01. Apr., Seite 324-343
1. Verfasser: Berberich, Tim B (VerfasserIn)
Weitere Verfasser: Molodtsov, Serguei L, Kurta, Ruslan P
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2024
Zugriff auf das übergeordnete Werk:Journal of applied crystallography
Schlagworte:Journal Article X-ray free-electron lasers fluctuation X-ray scattering iterative phasing single-particle imaging
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520 |a Fluctuation X-ray scattering (FXS) offers a complementary approach for nano- and bioparticle imaging with an X-ray free-electron laser (XFEL), by extracting structural information from correlations in scattered XFEL pulses. Here a workflow is presented for single-particle structure determination using FXS. The workflow includes procedures for extracting the rotational invariants from FXS patterns, performing structure reconstructions via iterative phasing of the invariants, and aligning and averaging multiple reconstructions. The reconstruction pipeline is implemented in the open-source software xFrame and its functionality is demonstrated on several simulated structures 
650 4 |a Journal Article 
650 4 |a X-ray free-electron lasers 
650 4 |a fluctuation X-ray scattering 
650 4 |a iterative phasing 
650 4 |a single-particle imaging 
700 1 |a Molodtsov, Serguei L  |e verfasserin  |4 aut 
700 1 |a Kurta, Ruslan P  |e verfasserin  |4 aut 
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