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Direct phasing of nanocrystal diffraction

Cornell Affiliated Author(s)

Author

V. Elser

Abstract

Recent experiments at free-electron laser X-ray sources have been able to resolve the intensity distributions about Bragg peaks in nanocrystals of large biomolecules. Information derived from small shifts in the peak positions augment the Bragg samples of the particle intensity with samples of its gradients. Working on the assumption that the nanocrystal is entirely generated by lattice translations of a particle, an algorithm is developed that reconstructs the particle from intensities and intensity gradients. Unlike traditional direct phasing methods that require very high resolution data in order to exploit sparsity of the electron density, this method imposes no constraints on the contrast other than positivity and works well at low resolution. Successful reconstructions are demonstrated with simulated P1 lysozyme nanocrystal data down to a signal-to-noise ratio of 2 in the intensity gradients. © 2013 International Union of Crystallography Printed in Singapore - all rights reserved.

Date Published

Journal

Acta Crystallographica Section A: Foundations of Crystallography

Volume

69

Issue

6

Number of Pages

559-569,

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84885944727&doi=10.1107%2fS0108767313023362&partnerID=40&md5=bc9ccd77c9a0378bfae00799f27691c1

DOI

10.1107/S0108767313023362

Group (Lab)

Veit Elser Group

Funding Source

DE-FG02-11ER16210

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