Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II
Wang J, Askerka M, Brudvig GW, Batista VS. Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II. ACS Energy Letters 2017, 2: 2299-2306. PMID: 29057331, PMCID: PMC5644713, DOI: 10.1021/acsenergylett.7b00750.Peer-Reviewed Original ResearchOxygen-evolving complexWater ligandsQuantum mechanics/molecular mechanics analysisO bond formationPhotosystem IINew water moleculeMolecular mechanics analysisBiomimetic photocatalytic systemsDifference Fourier mapsWater moleculesPhotocatalytic cyclesCatalytic cycleSubstrate waterMn centersBond formationPhotocatalytic systemCrystallographic dataXFEL dataFourier mapsStructure-function relationsLigandsÅ resolutionComplexesNature of rearrangementsWaterInsights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X‑ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models
Wang J, Askerka M, Brudvig GW, Batista VS. Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X‑ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models. ACS Energy Letters 2017, 2: 397-407. PMID: 28217747, PMCID: PMC5307371, DOI: 10.1021/acsenergylett.6b00626.Peer-Reviewed Original ResearchX-ray free-electron lasersFree-electron laserLight oxygen atomsHigh-resolution spectroscopyFemtosecond X-ray crystallographyPhotosystem IIQuantum mechanics/molecular mechanics techniquesBiomimetic photocatalytic systemsFunction of PSIIDifference Fourier mapsDiffraction dataElectron laserConventional X-ray diffraction methodXFEL dataHeavy metal centersS-state transitionsStructure-function determinationX-ray diffraction dataFourier mapsRadiation damageMolecular mechanics techniquesX-ray diffraction methodsOutstanding challengesOxygen atomsDiffraction methods