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What does the Sr-substituted 2.1 Å resolution crystal structure of photosystem II reveal about the water oxidation mechanism?

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Authors

Terrett, Richard
Petrie, Simon
Pace, Ronald
Stranger, Robert

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Royal Society of Chemistry

Abstract

A density functional study of the Sr-substituted photosystem II water oxidising complex demonstrates that its recent X-ray crystal structure is consistent with a (MnIII)4 oxidation state pattern, and with a Sr-bound hydroxide ion. The Sr-water-hydroxide interactions rationalize differences in the exchange rates of substrate water and kinetics of dioxygen bond formation relative to the Ca-containing structure.

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Chemical Communications

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2037-12-31