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Title: Metalloprotein structures at ambient conditions and in real-time: biological crystallography and spectroscopy using X-ray free electron lasers

Journal Article · · Current Opinion in Structural Biology
 [1];  [2];  [2]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Physical Biosciences Division; SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Physical Biosciences Division

We have studied the structure of enzymes and the chemistry at the catalytic sites, intensively and have acquired an understanding of the atomic-scale chemistry which requires a new approach beyond steady state X-ray crystallography and X-ray spectroscopy at cryogenic temperatures. Following the dynamic changes in the geometric and electronic structure of metallo-enzymes at ambient conditions, while overcoming the severe X-ray-induced changes to the redox active catalytic center, is key for deriving reaction mechanisms. Such studies become possible by the intense and ultra-short femtosecond (fs) X-ray pulses from an X-ray free electron laser (XFEL) by acquiring a signal before the sample is destroyed. Our review describes the recent and pioneering uses of XFELs to study the protein structure and dynamics of metallo-enzymes using crystallography and scattering, as well as the chemical structure and dynamics of the catalytic complexes (charge, spin, and covalency) using spectroscopy during the reaction to understand the electron-transfer processes and elucidate the mechanism.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1378579
Alternate ID(s):
OSTI ID: 1250107
Journal Information:
Current Opinion in Structural Biology, Vol. 34, Issue C; ISSN 0959-440X
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 33 works
Citation information provided by
Web of Science

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Short-wavelength free-electron laser sources and science: a review text January 2017
Demonstration of two-color x-ray free-electron laser pulses with a sextupole magnet journal March 2020
Stochastic stimulated electronic x-ray Raman spectroscopy journal February 2016
Radiation damage in protein crystallography at X-ray free-electron lasers journal January 2019
Biophysics in drug discovery: impact, challenges and opportunities journal August 2016
Radiation chemists look at damage in redox proteins induced by X-rays journal May 2018
Scientific instrument Femtosecond X-ray Experiments (FXE): instrumentation and baseline experimental capabilities journal August 2019
Demonstration of two-color x-ray free-electron laser pulses with a sextupole magnet text January 2020
Radiation damage in protein crystallography at X-ray free-electron lasers journal December 2017
Strategies for sample delivery for femtosecond crystallography text January 2019
Short-wavelength free-electron laser sources and science: a review journal October 2017
Perspective: A toolbox for protein structure determination in physiological environment through oriented, 2D ordered, site specific immobilization journal July 2017
A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography text January 2020
Stochastic stimulated electronic x-ray Raman spectroscopy preprint January 2015
A New Route for the Determination of Protein Structure in Physiological Environment preprint January 2017