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 journalArticlepeer-review

1 Scopus citations


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
Issue number5
StatePublished - Sep 2018


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

ASJC Scopus subject areas

  • Structural Biology
  • Biochemistry
  • General Materials Science
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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