Journal article

Recovery of undamaged electron-density maps in the presence of damage-induced partial coherence in singe-particle imaging

Alexander Kozlov, Timur E Gureyev, David M Paganin, Andrew Martin, Carl Caleman, Harry M Quiney

IUCrJ | INT UNION CRYSTALLOGRAPHY | Published : 2020

Abstract

Resolving the electronic structure of single biological molecules in their native state was among the primary motivations behind X-ray free-electron lasers. The ultra-short pulses they produce can outrun the atomic motion induced by radiation damage, but the electronic structure of the sample is still significantly modified from its original state. This paper explores the decoherence of the scattered signal induced by temporal evolution of the electronic structure in the sample molecule. It is shown that the undamaged electron density of a single-molecule sample can often be retrieved using only the two most occupied modes from the coherent mode decomposition of the partially coherent diffra..

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Grants

Awarded by Swedish Research Council


Funding Acknowledgements

Funding for this research was provided by: the Australian Research Council through the Centre of Excellence for Advanced Molecular Imaging, the Swedish Foundation for Strategic Research, the Swedish Research Council (2018-00740), the Carl Trygger Foundation, and the Helmholtz Association through the Center for Free-Electron Laser Science at DESY.