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Rationalizing the 1.9 Å crystal structure of photosystem II - a remarkable Jahn-Teller balancing act induced by a single proton transfer

Date

Authors

Gatt, Phillip

Petrie, Simon

Stranger, Robert

Pace, Ronald

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

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

URI

http://hdl.handle.net/1885/69415

Collections

ANU Research Publications

Source

Angewandte Chemie International Edition

Type

Journal article

DOI

10.1002/anie.201206316

Restricted until

2037-12-31

Downloads

File

Description

01_Gatt_Rationalizing_the_1.9_Å_2012.pdf (2.16 MB)