Unknown

Dataset Information

0

Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X-ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models.


ABSTRACT: Understanding structure-function relations in photosystem II (PSII) is important for the development of biomimetic photocatalytic systems. X-ray crystallography, computational modeling, and spectroscopy have played central roles in elucidating the structure and function of PSII. Recent breakthroughs in femtosecond X-ray crystallography offer the possibility of collecting diffraction data from the X-ray free electron laser (XFEL) before radiation damage of the sample, thereby overcoming the main challenge of conventional X-ray diffraction methods. However, the interpretation of XFEL data from PSII intermediates is challenging because of the issues regarding data-processing, uncertainty on the precise positions of light oxygen atoms next to heavy metal centers, and different kinetics of the S-state transition in microcrystals compared to solution. Here, we summarize recent advances and outstanding challenges in PSII structure-function determination with emphasis on the implementation of quantum mechanics/molecular mechanics techniques combined with isomorphous difference Fourier maps, direct methods, and high-resolution spectroscopy.

SUBMITTER: Wang J 

PROVIDER: S-EPMC5307371 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature

altmetric image

Publications

Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X-ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models.

Wang Jimin J   Askerka Mikhail M   Brudvig Gary W GW   Batista Victor S VS  

ACS energy letters 20170112 2


Understanding structure-function relations in photosystem II (PSII) is important for the development of biomimetic photocatalytic systems. X-ray crystallography, computational modeling, and spectroscopy have played central roles in elucidating the structure and function of PSII. Recent breakthroughs in femtosecond X-ray crystallography offer the possibility of collecting diffraction data from the X-ray free electron laser (XFEL) before radiation damage of the sample, thereby overcoming the main  ...[more]

Similar Datasets

| S-EPMC3382516 | biostudies-literature
| S-EPMC3732582 | biostudies-literature
| S-EPMC3783007 | biostudies-literature
| S-EPMC4062087 | biostudies-literature
| S-EPMC4711640 | biostudies-literature
| S-EPMC6042073 | biostudies-literature
| S-EPMC4821544 | biostudies-literature
| S-EPMC4711619 | biostudies-literature
| S-EPMC5111704 | biostudies-literature
| S-EPMC5943278 | biostudies-literature