title: Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex.
abstract: X-ray free electron lasers (XFELs) reduce the effects of radiation damage on macromolecular diffraction data and thereby extend the limiting resolution. Previously, we adapted classical post-refinement techniques to XFEL diffraction data to produce accurate diffraction data sets from a limited number of diffraction images (Uervirojnangkoorn et al., 2015), and went on to use these techniques to obtain a complete data set from crystals of the synaptotagmin-1 / SNARE complex and to determine the structure at 3.5 Å resolution (Zhou et al., 2015). Here, we describe new advances in our methods and present a reprocessed XFEL data set of the synaptotagmin-1 / SNARE complex. The reprocessing produced small improvements in electron density maps and the refined atomic model. The maps also contained more information than those of a lower resolution (4.1 Å) synchrotron data set. Processing a set of simulated XFEL diffraction images revealed that our methods yield accurate data and atomic models.
authors.affiliation: Department of Molecular and Cellular Physiology, Stanford University, Stanford, United States.|Neurology and Neurological Science, Stanford University, Stanford, United States.|Structural Biology, Stanford University, Stanford, United States.|Photon Science, Stanford University, Stanford, United States.|Howard Hughes Medical Institute, Stanford University, Stanford, United States.
authors.forename: Artem Y
authors.initials: AY
authors.lastname: Lyubimov
authors.affiliation: Department of Molecular and Cellular Physiology, Stanford University, Stanford, United States.|Neurology and Neurological Science, Stanford University, Stanford, United States.|Photon Science, Stanford University, Stanford, United States.|Structural Biology, Stanford University, Stanford, United States.|Howard Hughes Medical Institute, Stanford University, Stanford, United States.
authors.forename: Monarin
authors.initials: M
authors.lastname: Uervirojnangkoorn
authors.affiliation: Department of Molecular and Cellular Physiology, Stanford University, Stanford, United States.|Neurology and Neurological Science, Stanford University, Stanford, United States.|Photon Science, Stanford University, Stanford, United States.|Structural Biology, Stanford University, Stanford, United States.|Howard Hughes Medical Institute, Stanford University, Stanford, United States.
authors.forename: Oliver B
authors.initials: OB
authors.lastname: Zeldin
authors.affiliation: Department of Molecular and Cellular Physiology, Stanford University, Stanford, United States.|Neurology and Neurological Science, Stanford University, Stanford, United States.|Photon Science, Stanford University, Stanford, United States.|Structural Biology, Stanford University, Stanford, United States.|Howard Hughes Medical Institute, Stanford University, Stanford, United States.
authors.forename: Qiangjun
authors.initials: Q
authors.lastname: Zhou
authors.affiliation: Department of Molecular and Cellular Physiology, Stanford University, Stanford, United States.|Neurology and Neurological Science, Stanford University, Stanford, United States.|Photon Science, Stanford University, Stanford, United States.|Structural Biology, Stanford University, Stanford, United States.|Howard Hughes Medical Institute, Stanford University, Stanford, United States.
authors.forename: Minglei
authors.initials: M
authors.lastname: Zhao
authors.affiliation: Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, United States.
authors.forename: Aaron S
authors.initials: AS
authors.lastname: Brewster
authors.affiliation: Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, United States.
authors.forename: Tara
authors.initials: T
authors.lastname: Michels-Clark
authors.affiliation: Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, United States.|Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, United States.|Department of Biochemistry and Biophysics, University of California, San Francisco, San Francisco, United States.
authors.forename: James M
authors.initials: JM
authors.lastname: Holton
authors.affiliation: Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, United States.
authors.forename: Nicholas K
authors.initials: NK
authors.lastname: Sauter
authors.affiliation: Department of Molecular and Cellular Physiology, Stanford University, Stanford, United States.|Structural Biology, Stanford University, Stanford, United States.|Photon Science, Stanford University, Stanford, United States.
authors.forename: William I
authors.initials: WI
authors.lastname: Weis
authors.affiliation: Department of Molecular and Cellular Physiology, Stanford University, Stanford, United States.|Neurology and Neurological Science, Stanford University, Stanford, United States.|Photon Science, Stanford University, Stanford, United States.|Structural Biology, Stanford University, Stanford, United States.|Howard Hughes Medical Institute, Stanford University, Stanford, United States.
authors.forename: Axel T
authors.identifier: 0000-0001-5121-2036
authors.initials: AT
authors.lastname: Brunger
mesh_terms: D003460:Crystallization; D007091:Image Processing, Computer-Assisted / Q000379:methods*; D046529:Microscopy, Electron, Transmission / Q000379:methods*; D050600:SNARE Proteins / Q000737:chemistry*; D050863:Synaptotagmin I / Q000737:chemistry*
chemical_list: D050600:SNARE Proteins; D050863:Synaptotagmin I
keywords: X-ray free electron laser; biophysics; macromolecular crystallography; post-refinement; radiation damage; structural biology