On the guiding principles for lucid understanding of the damage-free S1 structure of the CaMn4O5 cluster in the oxygen evolving complex of photosystem II

Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Michihiro Suga, Fusamichi Akita, Jian Ren Shen, Kizashi Yamaguchi

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)

Abstract

Several key concepts and geometrical rules for the Mn-Mn and Mn-O distances of the CaMn4O5 cluster in the oxygen evolving complex (OEC) of photosystem II (PSII) by previous and present theoretical calculations were examined for a clear understanding of the damage-free S1 structure revealed by X-ray free electron laser (XFEL). A simple equation to estimate the Mna-Mnb distance in relation to the Mna-O(5) distance was derived taking into consideration the Jahn-Teller (JT) effects for Mn centers, indicating that the XFEL structure is regarded as a slightly right-elongated quasi-central structure in contradiction to a right-opened structure proposed by the EXAFS measurements.

Original languageEnglish
Pages (from-to)44-52
Number of pages9
JournalChemical Physics Letters
Volume627
DOIs
Publication statusPublished - May 1 2015

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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