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Rationalizing the 2.25 Å Resolution Crystal Structure of the Water Oxidising Complex of Photosystem II in the S3 State

Petrie, Simon; Stranger, Robert; Pace, Ronald

Description

Quantum chemical calculations are described which rationalize the recent X‐ray diffraction (XRD) structure at 2.25 Å of the Mn4Ca water oxidising complex (WOC) of photosystem II (PSII) in the S3 intermediate state. The new S3 XRD structure shows remarkable similarity to earlier atomic resolution (1.9, 1.95 Å) WOC structures in the dark stable S1 state and is inconsistent with most current proposals, from computational chemistry and other sources, regarding the Mn oxidation state levels in the...[Show more]

CollectionsANU Research Publications
Date published: 2017
Type: Journal article
URI: http://hdl.handle.net/1885/164695
Source: ChemPhysChem
DOI: 10.1002/cphc.201700640

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