4PBU : Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state

  • Christopher Kupitz (Contributor)
  • Shibom Basu (Contributor)
  • Ingo Grotjohann (Contributor)
  • Raimund Fromme (Contributor)
  • Nadia A. Zatsepin (Contributor)
  • Kimberly N. Rendek (Contributor)
  • Mark S. Hunter (Contributor)
  • Robert L. Shoeman (Contributor)
  • Thomas A. White (Contributor)
  • Dingjie Wang (Contributor)
  • Daniel James (Contributor)
  • Jay How Yang (Contributor)
  • Danielle E. Cobb (Contributor)
  • Brenda Reeder (Contributor)
  • Raymond Sierra (Contributor)
  • Haiguang Liu (Contributor)
  • Anton Barty (Contributor)
  • Andrew Aquila (Contributor)
  • D. P. Deponte (Contributor)
  • Richard Kirian (Contributor)
  • Sadia Bari (Contributor)
  • Jesse J. Bergkamp (Contributor)
  • Kenneth R. Beyerlein (Contributor)
  • Michael J. Bogan (Contributor)
  • Carl Caleman (Contributor)
  • T. C. Chao (Contributor)
  • Chelsie E. Conrad (Contributor)
  • Katherine M. Davis (Contributor)
  • Holger Fleckenstein (Contributor)
  • Lorenzo Galli (Contributor)
  • S. Hau-Riege (Contributor)
  • Stephan Kassemeyer (Contributor)
  • Hartawan Laksmono (Contributor)
  • Mengning Liang (Contributor)
  • Lukas Lomb (Contributor)
  • Stefano Marchesini (Contributor)
  • Andrew V. Martin (Contributor)
  • Marc Messerschmidt (Contributor)
  • Despina Milathianaki (Contributor)
  • Karol Nass (Contributor)
  • Alexandra Ros (Contributor)
  • Shatabdi Roy-Chowdhury (Contributor)
  • Kevin Schmidt (Contributor)
  • M. Marvin Seibert (Contributor)
  • Jan Steinbrener (Contributor)
  • Francesco Stellato (Contributor)
  • Lifen Yan (Contributor)
  • Chun Hong Yoon (Contributor)
  • Thomas Moore (Contributor)
  • Ana Moore (Contributor)
  • Yulia Pushkar (Contributor)
  • Garth J. Williams (Contributor)
  • Sébastien Boutet (Contributor)
  • R. Bruce Doak (Contributor)
  • Uwe Weierstall (Contributor)
  • Matthias Frank (Contributor)
  • Henry N. Chapman (Contributor)
  • John C. H. Spence (Contributor)
  • Petra Fromme (Contributor)



Experimental Technique/Method:X-RAY DIFFRACTION
Release Date:2014-07-16
Deposition Date:2014-04-13
Revision Date:2014-07-30#2014-08-06#2014-10-01#2015-09-23#2017-09-06#2017-11-22
Molecular Weight:692590.19
Macromolecule Type:Protein
Residue Count:5276
Atom Site Count:48924

Photosynthesis, a process catalysed by plants, algae and cyanobacteria converts sunlight to energy thus sustaining all higher life on Earth. Two large membrane protein complexes, photosystem I and II (PSI and PSII), act in series to catalyse the light-driven reactions in photosynthesis. PSII catalyses the light-driven water splitting process, which maintains the Earth's oxygenic atmosphere. In this process, the oxygen-evolving complex (OEC) of PSII cycles through five states, S0 to S4, in which four electrons are sequentially extracted from the OEC in four light-driven charge-separation events. Here we describe time resolved experiments on PSII nano/microcrystals from Thermosynechococcus elongatus performed with the recently developed technique of serial femtosecond crystallography. Structures have been determined from PSII in the dark S1 state and after double laser excitation (putative S3 state) at 5 and 5.5 Å resolution, respectively. The results provide evidence that PSII undergoes significant conformational changes at the electron acceptor side and at the Mn4CaO5 core of the OEC. These include an elongation of the metal cluster, accompanied by changes in the protein environment, which could allow for binding of the second substrate water molecule between the more distant protruding Mn (referred to as the 'dangler' Mn) and the Mn3CaOx cubane in the S2 to S3 transition, as predicted by spectroscopic and computational studies. This work shows the great potential for time-resolved serial femtosecond crystallography for investigation of catalytic processes in biomolecules.
Date made available2014

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