Rationalizing the 1.9 Å crystal structure of photosystem II - a remarkable Jahn-Teller balancing act induced by a single proton transfer
Date
2012
Authors
Gatt, Phillip
Petrie, Simon
Stranger, Robert
Pace, Ronald
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Publisher
Wiley-VCH Verlag GMBH
Abstract
Balancing act: DFT calculations show that the structures of the water-oxidizing complex in the two most recent single crystal XRD studies of photosystem II at 2.9 Å and 1.9 Å resolution are tautomers related by a single proton transfer. The anomalous ox
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Keywords
Keywords: DFT calculation; Jahn-Teller; Metal centers; Oxygen species; Photosystem II; Photosystems; Single crystal XRD; Water molecule; Water splitting; water-oxidizing complex; Density functional theory; Manganese; Proton transfer; X ray diffraction; Jahn-Teller density functional calculations; photosystem II; water splitting; water-oxidizing complex; X-ray diffraction
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Source
Angewandte Chemie International Edition
Type
Journal article
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2037-12-31
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