title: Phasing coherently illuminated nanocrystals bounded by partial unit cells.
abstract: With the use of highly coherent femtosecond X-ray pulses from a free-electron laser, it is possible to record protein nanocrystal diffraction patterns with far more information than is present in conventional crystallographic diffraction data. It has been suggested that diffraction phases may be retrieved from such data via iterative algorithms, without the use of a priori information and without restrictions on resolution. Here, we investigate the extension of this approach to nanocrystals with edge terminations that produce partial unit cells, and hence cannot be described by a common repeating unit cell. In this situation, the phase problem described in previous work must be reformulated. We demonstrate an approximate solution to this phase problem for crystals with random edge terminations.
authors.affiliation: Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany richard.kirian@desy.de.
authors.forename: Richard A
authors.initials: RA
authors.lastname: Kirian
authors.affiliation: Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Bean
authors.affiliation: Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Kenneth R
authors.initials: KR
authors.lastname: Beyerlein
authors.affiliation: Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Oleksandr M
authors.initials: OM
authors.lastname: Yefanov
authors.affiliation: Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Thomas A
authors.initials: TA
authors.lastname: White
authors.affiliation: Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Anton
authors.initials: A
authors.lastname: Barty
authors.affiliation: Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Henry N
authors.initials: HN
authors.lastname: Chapman
mesh_terms: D000465:Algorithms; D018360:Crystallography, X-Ray / Q000379:methods*; D004583:Electrons; D007834:Lasers; D008968:Molecular Conformation; D053758:Nanoparticles / Q000737:chemistry*; D014961:X-Ray Diffraction / Q000379:methods*
keywords: coherent diffractive imaging; free-electron laser; protein crystallography