2019
Thermodynamics of the S 2 -to-S 3 state transition of the oxygen-evolving complex of photosystem II
Amin M, Kaur D, Yang KR, Wang J, Mohamed Z, Brudvig GW, Gunner MR, Batista V. Thermodynamics of the S 2 -to-S 3 state transition of the oxygen-evolving complex of photosystem II. Physical Chemistry Chemical Physics 2019, 21: 20840-20848. PMID: 31517382, DOI: 10.1039/c9cp02308a.Peer-Reviewed Original ResearchConceptsOxygen-evolving complexD1-E189Water/hydroxide moleculeOxygen evolution reactionWater/hydroxidePhotosystem IIVan der WaalsRedox isomersAdditional hydroxideHydroxide moleculeCatalytic intermediatesElectrostatic interactionsProton lossCoordination shellDer WaalsSerial femtosecond crystallographyHydroxide additionHydroxideConformational changesFree electron laser measurementXFEL structureAdditional oxygenMn4IntermediatesFemtosecond crystallography
2016
S3 State of the O2‑Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X‑ray Diffraction
Askerka M, Wang J, Vinyard DJ, Brudvig GW, Batista VS. S3 State of the O2‑Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X‑ray Diffraction. Biochemistry 2016, 55: 981-984. PMID: 26849148, DOI: 10.1021/acs.biochem.6b00041.Peer-Reviewed Original ResearchConceptsExtended X-ray absorption fine structureFemtosecond x-ray diffractionX-ray diffractionOxygen-evolving complexS3 stateHybrid quantum mechanics/molecular mechanics (QM/MM) methodX-ray absorption fine structureQuantum mechanics/molecular mechanics methodsAbsorption fine structureQM/MMPhotosystem IIMolecular mechanics methodElectron paramagnetic resonanceWater ligandsS3 transitionAmmonia bindingParamagnetic resonanceFine structureMechanics methodDiffractionComplexesStateResonanceLigandsMn4