2018
Reduced Occupancy of the Oxygen-Evolving Complex of Photosystem II Detected in Cryo-Electron Microscopy Maps
Wang J, Reiss K, Brudvig GW, Batista VS. Reduced Occupancy of the Oxygen-Evolving Complex of Photosystem II Detected in Cryo-Electron Microscopy Maps. Biochemistry 2018, 57: 5925-5929. PMID: 30260634, DOI: 10.1021/acs.biochem.8b00609.Peer-Reviewed Original ResearchConceptsOxygen-evolving complexElectrostatic potentialOEC of PSIIPhotosystem IIAtomic scattering factorsElectron scatteringScattering factorsDensity functional theoryESP mapsFunctional theoryAtomic coordinatesAtomistic modelMicroscopy mapsScatteringCryo-electron microscopy mapComputational simulations
2017
Determination of chemical identity and occupancy from experimental density maps
Wang J. Determination of chemical identity and occupancy from experimental density maps. Protein Science 2017, 27: 411-420. PMID: 29027293, PMCID: PMC5775170, DOI: 10.1002/pro.3325.Peer-Reviewed Original ResearchConceptsCharge densityFourier transformElectrostatic potentialExperimental charge densitySolvent moleculesAtomic B-factorsElectron densityBasic electronic propertiesESP mapsProtein α-helixChemical identityActive siteElectronic propertiesLarge macromolecular complexesExperimental density mapsDensity mapsMoleculesVitreous iceMacromolecular complexesΑ-helixSmall protein subunitESP valuesTransformStructure factorSupercomplexes