2017
Insights 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
2016
Different Divalent Cations Alter the Kinetics and Fidelity of DNA Polymerases*
Vashishtha AK, Wang J, Konigsberg WH. Different Divalent Cations Alter the Kinetics and Fidelity of DNA Polymerases*. Journal Of Biological Chemistry 2016, 291: 20869-20875. PMID: 27462081, PMCID: PMC5076500, DOI: 10.1074/jbc.r116.742494.Peer-Reviewed Original ResearchConceptsMetal ionsWater moleculesTransfer reactionsDifferent divalent cationsOctahedral coordination geometryB metal ionsThird metal ionDifferent metal ionsAttacking water moleculeDivalent metal ionsNucleotidyl transfer reactionPhosphoryl transfer reactionsNon-bridging oxygen atomsOctahedral complexesCoordination geometryCarboxyl oxygenDivalent cationsOxygen atomsSixth ligandHydroxyl groupsTransition stateEffective nucleophilePhosphorous atomsIonsB-site
2015
Analysis of the Radiation-Damage-Free X‑ray Structure of Photosystem II in Light of EXAFS and QM/MM Data
Askerka M, Vinyard DJ, Wang J, Brudvig GW, Batista VS. Analysis of the Radiation-Damage-Free X‑ray Structure of Photosystem II in Light of EXAFS and QM/MM Data. Biochemistry 2015, 54: 1713-1716. PMID: 25710258, DOI: 10.1021/acs.biochem.5b00089.Peer-Reviewed Original ResearchConceptsPhotosystem II crystalsX-ray absorption fine structureExtended X-ray absorption fine structureAbsorption fine structurePhotosystem IIHigh-resolution structural modelS1 stateS0 stateOxygen-evolving complexRadiation damageX-ray diffraction studiesExtensive dark adaptationFine structureDiffraction studiesOxygen atomsManganese centersX-ray structureAtomsMM dataCrystalsStateEXAFSLightStructureResolution