TY - JOUR
T1 - 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
AU - Shoji, Mitsuo
AU - Isobe, Hiroshi
AU - Yamanaka, Shusuke
AU - Suga, Michihiro
AU - Akita, Fusamichi
AU - Shen, Jian Ren
AU - Yamaguchi, Kizashi
N1 - Publisher Copyright:
© 2015 Elsevier B.V. All rights reserved.
PY - 2015/5/1
Y1 - 2015/5/1
N2 - 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.
AB - 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.
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U2 - 10.1016/j.cplett.2015.03.033
DO - 10.1016/j.cplett.2015.03.033
M3 - Article
AN - SCOPUS:84926628735
VL - 627
SP - 44
EP - 52
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -