title: What does the Sr-substituted 2.1 Å resolution crystal structure of photosystem II reveal about the water oxidation mechanism?
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 (Mn(III))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.
authors: Research School of Chemistry, College of Physical Sciences and Mathematics, The Australian National University, ACT 0200, Australia. Rob.Stranger@anu.edu.au.
authors: Richard
authors: R
authors: Terrett
authors: Simon
authors: S
authors: Petrie
authors: Ron J
authors: RJ
authors: Pace
authors: Robert
authors: R
authors: Stranger
mesh_terms: D002118:Calcium / Q000737:chemistry / Q000378:metabolism; D018360:Crystallography, X-Ray; D008345:Manganese / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry / Q000378:metabolism*; D010084:Oxidation-Reduction; D045332:Photosystem II Protein Complex / Q000737:chemistry / Q000378:metabolism*; D011789:Quantum Theory; D013324:Strontium / Q000737:chemistry / Q000378:metabolism*; D014867:Water / Q000737:chemistry / Q000378:metabolism*
chemical_list: D009942:Organometallic Compounds; D045332:Photosystem II Protein Complex; D014867:Water; D008345:Manganese; D002118:Calcium; D013324:Strontium