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Ab initio structure determination from experimental fluctuation X-ray scattering data.


ABSTRACT: Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which X-ray solution scattering data are collected from particles in solution using ultrashort X-ray exposures generated by a free-electron laser (FEL). FXS experiments overcome the low data-to-parameter ratios associated with traditional solution scattering measurements by providing several orders of magnitude more information in the final processed data. Here we demonstrate the practical feasibility of FEL-based FXS on a biological multiple-particle system and describe data-processing techniques required to extract robust FXS data and significantly reduce the required number of snapshots needed by introducing an iterative noise-filtering technique. We showcase a successful ab initio electron density reconstruction from such an experiment, studying the Paramecium bursaria Chlorella virus (PBCV-1).

SUBMITTER: Pande K 

PROVIDER: S-EPMC6243272 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature

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Ab initio structure determination from experimental fluctuation X-ray scattering data.

Pande Kanupriya K   Donatelli Jeffrey J JJ   Malmerberg Erik E   Foucar Lutz L   Bostedt Christoph C   Schlichting Ilme I   Zwart Petrus H PH  

Proceedings of the National Academy of Sciences of the United States of America 20181029 46


Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which X-ray solution scattering data are collected from particles in solution using ultrashort X-ray exposures generated by a free-electron laser (FEL). FXS experiments overcome the low data-to-parameter ratios associated with traditional solution scattering measurements by providing several orders of magnitude more information in the final processed data. Here we demonstrate the practical feasibility of FEL-based FXS on  ...[more]

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