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Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X-ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models

Journal Article · · ACS Energy Letters
 [1];  [2];  [2];  [2]
  1. Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520-8114, United States
  2. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States
Not Available
Research Organization:
Yale Univ., New Haven, CT (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
FG02-05ER15646; SC0001423
OSTI ID:
1341225
Alternate ID(s):
OSTI ID: 1345213
Journal Information:
ACS Energy Letters, Journal Name: ACS Energy Letters Journal Issue: 2 Vol. 2; ISSN 2380-8195
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (67)

Estimation of the quality of refined protein crystal structures: The Quality of Protein Structures journal March 2015
X-ray radiation-induced addition of oxygen atoms to protein residues: Visualization of Oxidation and Peroxidation of Protein Residues journal July 2016
Oxygen additions in serial femtosecond crystallographic protein structures: Oxygen Additions in SFX Protein Structures journal July 2016
Oxygen Evolution in Photosynthesis**Supported in part by grants from the Atomic Energy Commission, Contract # AT(II-1)-3326 and the National Science Foundation, Contract # NSF-C705. book January 1975
Crystallographic determination of the heme orientation and location of the cyanide binding site in yeast cytochrome c peroxidase. journal May 1978
The mode of attachment of the azide ion to sperm whale metmyoglobin journal January 1964
Laue diffraction book January 1997
Structural models of the manganese complex of photosystem II and mechanistic implications journal January 2012
FTIR studies of metal ligands, networks of hydrogen bonds, and water molecules near the active site Mn4CaO5 cluster in Photosystem II journal January 2015
Redox-coupled substrate water reorganization in the active site of Photosystem II—The role of calcium in substrate water delivery journal June 2016
‘Photosystem II: the water splitting enzyme of photosynthesis and the origin of oxygen in our atmosphere’ journal January 2016
Analysis of the Radiation-Damage-Free X-ray Structure of Photosystem II in Light of EXAFS and QM/MM Data journal February 2015
NH 3 Binding to the S 2 State of the O 2 -Evolving Complex of Photosystem II: Analogue to H 2 O Binding during the S 2 → S 3 Transition journal September 2015
S 3 State of the O 2 -Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction journal February 2016
Mechanism of Water Delivery to the Active Site of Photosystem II along the S 2 to S 3 Transition journal January 2016
X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis journal August 1990
S 1 -State Model of the O 2 -Evolving Complex of Photosystem II journal July 2011
Deformation of Chlorin Rings in the Photosystem II Crystal Structure journal May 2012
Identification of Oxidized Amino Acid Residues in the Vicinity of the Mn 4 CaO 5 Cluster of Photosystem II: Implications for the Identification of Oxygen Channels within the Photosystem journal July 2012
S 0 -State Model of the Oxygen-Evolving Complex of Photosystem II journal October 2013
Computational Insights on Crystal Structures of the Oxygen-Evolving Complex of Photosystem II with Either Ca 2+ or Ca 2+ Substituted by Sr 2+ journal January 2015
Structural Changes in the Oxygen-Evolving Complex of Photosystem II Induced by the S 1 to S 2 Transition: A Combined XRD and QM/MM Study journal October 2014
Water-Splitting Chemistry of Photosystem II journal November 2006
Potential for biomolecular imaging with femtosecond X-ray pulses journal August 2000
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution journal February 2001
Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å journal April 2011
Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser journal July 2014
Native structure of photosystem II at 1.95 Å resolution viewed by femtosecond X-ray pulses journal November 2014
No observable conformational changes in PSII journal May 2016
Structure of photosystem II and substrate binding at room temperature journal November 2016
The role of metal ions in X-ray-induced photochemistry journal January 2016
Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy journal July 2014
Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers journal March 2014
Cyanobacterial photosystem II at 2.9-Å resolution and the role of quinones, lipids, channels and chloride journal February 2009
Alternative mechanisms for O 2 release and O–O bond formation in the oxygen evolving complex of photosystem II journal January 2015
A five-coordinate Mn( iv ) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding journal January 2016
X-ray damage to the Mn4Ca complex in single crystals of photosystem II: A case study for metalloprotein crystallography journal August 2005
Room temperature femtosecond X-ray diffraction of photosystem II microcrystals journal June 2012
Protein crystal structure obtained at 2.9 A resolution from injecting bacterial cells into an X-ray free-electron laser beam journal August 2014
Pi-, delta-, and gamma-chymotrypsin: three-dimensional electron-density and difference maps at 5 A resolution, and comparison with chymotrypsinogen. journal July 1967
Radiolytic Mapping of Solvent-Contact Surfaces in Photosystem II of Higher Plants: EXPERIMENTAL IDENTIFICATION OF PUTATIVE WATER CHANNELS WITHIN THE PHOTOSYSTEM journal June 2013
CrystFEL : a software suite for snapshot serial crystallography journal March 2012
The probability distribution of X-ray intensities journal October 1949
The probability distribution of the magnitude of a structure factor. I. The centrosymmetric crystal journal February 1953
The probability distribution of the magnitude of a structure factor. II. The non-centrosymmetric crystal journal February 1953
The theory of sign relations between structure factors journal January 1955
Joint probability distribution of structure factors and the phase problem journal August 1958
On the probability of measuring the intensity of a reflexion as negative journal May 1978
On the treatment of negative intensity observations journal July 1978
A statistic for local intensity differences: robustness to anisotropy and pseudo-centering and utility for detecting twinning journal June 2003
Scaling and assessment of data quality journal December 2005
Feasibility of one-shot-per-crystal structure determination using Laue diffraction journal December 2009
Overview of the CCP 4 suite and current developments journal March 2011
Autoindexing diffraction images with iMosflm journal June 2013
Diamonds in the rough: a strong case for the inclusion of weak-intensity X-ray diffraction data journal April 2014
Processing of X-ray snapshots from crystals in random orientations journal July 2014
Efficient calculation of diffracted intensities in the case of nonstationary scattering by biological macromolecules under XFEL pulses journal January 2015
XFEL diffraction: developing processing methods to optimize data quality journal January 2015
Serial crystallography on in vivo grown microcrystals using synchrotron radiation journal February 2014
Serial crystallography using synchrotron radiation journal February 2014
Time dependence of X-ray polarizability of a crystal induced by an intense femtosecond X-ray pulse journal October 2014
COOPERATION OF CHARGES IN PHOTOSYNTHETIC O 2 EVOLUTION–I. A LINEAR FOUR STEP MECHANISM journal June 1970
Architecture of the Photosynthetic Oxygen-Evolving Center journal March 2004
Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature journal February 2013
Photosystem II: The Reaction Center of Oxygenic Photosynthesis journal June 2013
Structural Studies with X Rays journal June 1965
Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex journal October 2016