The phase problem for two-dimensional crystals. II. Simulations
| Autor: | John C. H. Spence, Romain D. Arnal, Rick P. Millane, Alok K. Mitra, Yun Zhao |
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| Rok vydání: | 2018 |
| Předmět: |
0301 basic medicine
Diffraction Materials science Protein Conformation Electrons Phase problem Crystallography X-Ray 010403 inorganic & nuclear chemistry 01 natural sciences Biochemistry Noise (electronics) Phase Transition law.invention Inorganic Chemistry 03 medical and health sciences X-Ray Diffraction Structural Biology law Computer Simulation General Materials Science Physical and Theoretical Chemistry Dykstra's projection algorithm Envelope (waves) Lasers Membrane Proteins Condensed Matter Physics Laser Phaser 0104 chemical sciences Computational physics 030104 developmental biology Crystallization Phase retrieval Algorithms |
| Zdroj: | Acta Crystallographica Section A Foundations and Advances. 74:537-544 |
| ISSN: | 2053-2733 |
| Popis: | 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.A73, 438–448]. The effects of noise and likely requirements for structure determination using X-ray free-electron laser sources are investigated. |
| Databáze: | OpenAIRE |
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