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Diffraction data of core-shell nanoparticles from an X-ray free electron laser.

ABSTRACT: X-ray free-electron lasers provide novel opportunities to conduct single particle analysis on nanoscale particles. Coherent diffractive imaging experiments were performed at the Linac Coherent Light Source (LCLS), SLAC National Laboratory, exposing single inorganic core-shell nanoparticles to femtosecond hard-X-ray pulses. Each facetted nanoparticle consisted of a crystalline gold core and a differently shaped palladium shell. Scattered intensities were observed up to about 7?nm resolution. Analysis of the scattering patterns revealed the size distribution of the samples, which is consistent with that obtained from direct real-space imaging by electron microscopy. Scattering patterns resulting from single particles were selected and compiled into a dataset which can be valuable for algorithm developments in single particle scattering research.

SUBMITTER: Li X

PROVIDER: S-EPMC5387922 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

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Diffraction data of core-shell nanoparticles from an X-ray free electron laser.

Li Xuanxuan X Chiu Chun-Ya CY Wang Hsiang-Ju HJ Kassemeyer Stephan S Botha Sabine S Shoeman Robert L RL Lawrence Robert M RM Kupitz Christopher C Kirian Richard R James Daniel D Wang Dingjie D Nelson Garrett G Messerschmidt Marc M Boutet Sébastien S Williams Garth J GJ Hartmann Elisabeth E Jafarpour Aliakbar A Foucar Lutz M LM Barty Anton A Chapman Henry H Liang Mengning M Menzel Andreas A Wang Fenglin F Basu Shibom S Fromme Raimund R Doak R Bruce RB Fromme Petra P Weierstall Uwe U Huang Michael H MH Spence John C H JC Schlichting Ilme I Hogue Brenda G BG Liu Haiguang H

Scientific data 20170411

X-ray free-electron lasers provide novel opportunities to conduct single particle analysis on nanoscale particles. Coherent diffractive imaging experiments were performed at the Linac Coherent Light Source (LCLS), SLAC National Laboratory, exposing single inorganic core-shell nanoparticles to femtosecond hard-X-ray pulses. Each facetted nanoparticle consisted of a crystalline gold core and a differently shaped palladium shell. Scattered intensities were observed up to about 7 nm resolution. Anal ...[more]

PMID: 28398334

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Project description:The advent and application of the X-ray free-electron laser (XFEL) has uncovered the structures of proteins that could not previously be solved using traditional crystallography. While this new technology is powerful, optimization of the process is still needed to improve data quality and analysis efficiency. One area is sample heterogeneity, where variations in crystal size (among other factors) lead to the requirement of large data sets (and thus 10-100?mg of protein) for determining accurate structure factors. To decrease sample dispersity, we developed a high-throughput microfluidic sorter operating on the principle of dielectrophoresis, whereby polydisperse particles can be transported into various fluid streams for size fractionation. Using this microsorter, we isolated several milliliters of photosystem I nanocrystal fractions ranging from 200 to 600?nm in size as characterized by dynamic light scattering, nanoparticle tracking, and electron microscopy. Sorted nanocrystals were delivered in a liquid jet via the gas dynamic virtual nozzle into the path of the XFEL at the Linac Coherent Light Source. We obtained diffraction to ?4?Å resolution, indicating that the small crystals were not damaged by the sorting process. We also observed the shape transforms of photosystem I nanocrystals, demonstrating that our device can optimize data collection for the shape transform-based phasing method. Using simulations, we show that narrow crystal size distributions can significantly improve merged data quality in serial crystallography. From this proof-of-concept work, we expect that the automated size-sorting of protein crystals will become an important step for sample production by reducing the amount of protein needed for a high quality final structure and the development of novel phasing methods that exploit inter-Bragg reflection intensities or use variations in beam intensity for radiation damage-induced phasing. This method will also permit an analysis of the dependence of crystal quality on crystal size.

Dataset Information

Diffraction data of core-shell nanoparticles from an X-ray free electron laser.

Publications

Diffraction data of core-shell nanoparticles from an X-ray free electron laser.

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