title: The Mn₄Ca photosynthetic water-oxidation catalyst studied by simultaneous X-ray spectroscopy and crystallography using an X-ray free-electron laser.
abstract: The structure of photosystem II and the catalytic intermediate states of the Mn₄CaO₅ cluster involved in water oxidation have been studied intensively over the past several years. An understanding of the sequential chemistry of light absorption and the mechanism of water oxidation, however, requires a new approach beyond the conventional steady-state crystallography and X-ray spectroscopy at cryogenic temperatures. In this report, we present the preliminary progress using an X-ray free-electron laser to determine simultaneously the light-induced protein dynamics via crystallography and the local chemistry that occurs at the catalytic centre using X-ray spectroscopy under functional conditions at room temperature.
authors.affiliation: Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
authors.forename: Rosalie
authors.initials: R
authors.lastname: Tran
authors.affiliation: Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA LCLS, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Jan
authors.initials: J
authors.lastname: Kern
authors.affiliation: Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
authors.forename: Johan
authors.initials: J
authors.lastname: Hattne
authors.affiliation: Institutionen för Kemi, Kemiskt Biologiskt Centrum, Umeå Universitet, Umeå, Sweden.
authors.forename: Sergey
authors.initials: S
authors.lastname: Koroidov
authors.affiliation: Institut für Biologie, Humboldt-Universität Berlin, Berlin 10099, Germany.
authors.forename: Julia
authors.initials: J
authors.lastname: Hellmich
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Roberto
authors.initials: R
authors.lastname: Alonso-Mori
authors.affiliation: Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
authors.forename: Nicholas K
authors.initials: NK
authors.lastname: Sauter
authors.affiliation: LCLS, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Uwe
authors.initials: U
authors.lastname: Bergmann
authors.affiliation: Institutionen för Kemi, Kemiskt Biologiskt Centrum, Umeå Universitet, Umeå, Sweden.
authors.forename: Johannes
authors.initials: J
authors.lastname: Messinger
authors.affiliation: Institut für Biologie, Humboldt-Universität Berlin, Berlin 10099, Germany.
authors.forename: Athina
authors.initials: A
authors.lastname: Zouni
authors.affiliation: Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
authors.forename: Junko
authors.initials: J
authors.lastname: Yano
authors.affiliation: Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA vkyachandra@lbl.gov.
authors.forename: Vittal K
authors.initials: VK
authors.lastname: Yachandra
mesh_terms: D017610:Calcium Compounds / Q000737:chemistry*; D020134:Catalytic Domain; D018360:Crystallography, X-Ray / Q000379:methods; D008027:Light; D017895:Manganese Compounds / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D045332:Photosystem II Protein Complex / Q000737:chemistry*; D013052:Spectrometry, X-Ray Emission / Q000379:methods*; D014867:Water / Q000737:chemistry; D014961:X-Ray Diffraction / Q000379:methods*
chemical_list: D017610:Calcium Compounds; D017895:Manganese Compounds; D045332:Photosystem II Protein Complex; D014867:Water
keywords: X-ray crystallography; X-ray emission spectroscopy; X-ray free-electron laser; manganese; oxygen-evolving complex; photosystem II