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The phase problem for two‐dimensional crystals. II. Simulations
Author(s) -
Arnal Romain D.,
Zhao Yun,
Mitra Alok K.,
Spence John C. H.,
Millane Rick P.
Publication year - 2018
Publication title -
acta crystallographica section a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.742
H-Index - 83
ISSN - 2053-2733
DOI - 10.1107/s2053273318008707
Subject(s) - phaser , envelope (radar) , phase problem , diffraction , uniqueness , laser , phase (matter) , electron crystallography , noise (video) , projection (relational algebra) , free electron model , optics , electron diffraction , materials science , crystallography , algorithm , physics , computational physics , chemistry , computer science , image (mathematics) , mathematics , mathematical analysis , quantum mechanics , telecommunications , radar , artificial intelligence
Phasing of diffraction data from two‐dimensional crystals using only minimal molecular envelope information is investigated by simulation. Two‐dimensional crystals are an attractive target for studying membrane proteins using X‐ray free‐electron lasers, particularly for dynamic studies at room temperature. Simulations using an iterative projection algorithm show that phasing is feasible with fairly minimal molecular envelope information, supporting recent uniqueness results for this problem [Arnal & Millane (2017). Acta Cryst. A 73 , 438–448]. The effects of noise and likely requirements for structure determination using X‐ray free‐electron laser sources are investigated.