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

MPG-Autoren
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Foucar,  Lutz
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Schlichting,  Ilme
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

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Zitation

Pande, K., Donatelli, J. J., Malmerberg, E., Foucar, L., Bostedt, C., Schlichting, I., et al. (2018). Ab initio structure determination from experimental fluctuation X-ray scattering data. Proceedings of the National Academy of Sciences of the United States of America, 115(46), 11772-117777. doi:10.1073/pnas.1812064115.


Zitierlink: https://hdl.handle.net/21.11116/0000-0002-6BB8-7
Zusammenfassung
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).