Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

Li, Xuanxuan; Spence, John C. H.; Hogue, Brenda G.; Liu, Haiguang

doi:10.1107/S2052252517012398

Title: Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

Journal Article · Fri Sep 22 00:00:00 EDT 2017 · IUCrJ

DOI:https://doi.org/10.1107/S2052252517012398· OSTI ID:1416055

Li, Xuanxuan; Spence, John C. H.;

;

X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherent diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.

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Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source (LCLS)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); National Science Foundation (NSF); Foundation for the National Institutes of Health; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515; 11575021; U1530401; U1430237; 024940; 1120997; 1231306; U54GM094625

OSTI ID:: 1416055

Alternate ID(s):: OSTI ID: 1625821

Journal Information:: IUCrJ, Journal Name: IUCrJ Vol. 4 Journal Issue: 6; ISSN 2052-2525

Publisher:: International Union of Crystallography (IUCr)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

Citation Metrics:

Cited by: 2 works

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