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 language | English |
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Pages (from-to) | 12025-12028 |
Number of pages | 4 |
Journal | Angewandte Chemie - International Edition |
Volume | 51 |
Issue number | 48 |
DOIs | |
Publication status | Published - 26 Nov 2012 |