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

Phillip Gatt, Simon Petrie, Rob Stranger*, Ron J. Pace

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    73 Citations (Scopus)

    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 oxygen species, O(5), weakly bound to four metal centers in the 1.9 Å structure (see picture) is identified as a substrate water molecule balanced between the Jahn-Teller axes of Mn(1), Mn(3), and Mn(4).

    Original languageEnglish
    Pages (from-to)12025-12028
    Number of pages4
    JournalAngewandte Chemie - International Edition
    Volume51
    Issue number48
    DOIs
    Publication statusPublished - 26 Nov 2012

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