The phase problem for two-dimensional crystals.II. Simulations

Romain D. Arnal, Yun Zhao, Alok K. Mitra, John Spence, Rick P. Millane

    Research output: Contribution to journalArticle

    1 Citation (Scopus)

    Abstract

    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.

    Original languageEnglish (US)
    Pages (from-to)537-544
    Number of pages8
    JournalActa Crystallographica Section A: Foundations and Advances
    Volume74
    Issue number5
    DOIs
    StatePublished - Sep 1 2018

    Fingerprint

    X ray lasers
    Free electron lasers
    free electron lasers
    Lasers
    envelopes
    X-Rays
    Electrons
    Crystals
    uniqueness
    crystals
    Light sources
    Noise
    Membrane Proteins
    x rays
    simulation
    Diffraction
    projection
    membranes
    proteins
    Proteins

    Keywords

    • Ab initio phasing
    • Iterative projection algorithms
    • Membrane proteins
    • Phase problem
    • Phase retrieval
    • Twodimensional crystals
    • XFELs

    ASJC Scopus subject areas

    • Structural Biology
    • Biochemistry
    • Materials Science(all)
    • Condensed Matter Physics
    • Physical and Theoretical Chemistry
    • Inorganic Chemistry

    Cite this

    The phase problem for two-dimensional crystals.II. Simulations. / Arnal, Romain D.; Zhao, Yun; Mitra, Alok K.; Spence, John; Millane, Rick P.

    In: Acta Crystallographica Section A: Foundations and Advances, Vol. 74, No. 5, 01.09.2018, p. 537-544.

    Research output: Contribution to journalArticle

    Arnal, Romain D. ; Zhao, Yun ; Mitra, Alok K. ; Spence, John ; Millane, Rick P. / The phase problem for two-dimensional crystals.II. Simulations. In: Acta Crystallographica Section A: Foundations and Advances. 2018 ; Vol. 74, No. 5. pp. 537-544.
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