The phase problem for two-dimensional crystals. I. Theory

Acta Crystallographica. Section A, Foundations and Advances
Romain D Arnal, Rick P Millane

Abstract

Properties of the phase problem for two-dimensional crystals are examined. This problem is relevant to protein structure determination using diffraction from two-dimensional crystals that has been proposed using new X-ray free-electron laser sources. The problem is shown to be better determined than for conventional three-dimensional crystallography, but there are still a large number of solutions in the absence of additional a priori information. Molecular envelope information reduces the size of the solution set, and for an envelope that deviates sufficiently from the unit cell a unique solution is possible. The effects of various molecular surface features and incomplete data on uniqueness and prospects for ab initio phasing are assessed. Simulations of phase retrieval for two-dimensional crystal data are described in the second paper in this series.

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Nov 3, 2015·Acta Crystallographica. Section A, Foundations and Advances·Rick P Millane, Romain D Arnal
Mar 2, 2017·Acta Crystallographica. Section A, Foundations and Advances·Rick P Millane

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Citations

Sep 6, 2018·Acta Crystallographica. Section A, Foundations and Advances·Romain D ArnalRick P Millane
Jan 6, 2021·Acta Crystallographica. Section A, Foundations and Advances·Markus MetzRick P Millane

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