TY  - GEN
A1  - Mehrabi, Pedram
A1  - Schulz, Eike
A1  - Müller-Werkmeister, Henrike
A1  - Persch, Elke
A1  - De Gasparo, Raoul
A1  - Diederich, Francois
A1  - Tellkamp, Friedjof
A1  - Pai, Emil F.
A1  - Miller, R. J. Dwayne
T1  - Time-resolved crystallography via an interlacing approach allows elucidation of milliseconds to seconds time delays
T2  - Acta Crystallographica Section A
KW  - Time-resolved crystallography
KW  - crystallography
KW  - enzymology
KW  - method development
Y1  - 2018
U6  - https://doi.org/10.1107/S205327331809321X
SN  - 2053-2733
VL  - 74
SP  - E138
EP  - E138
PB  - International Union of Crystallography
CY  - Chester
ER  - 
TY  - JOUR
A1  - Schulz, Eike C.
A1  - Mehrabi, Pedram
A1  - Müller-Werkmeister, Henrike
A1  - Tellkamp, Friedjof
A1  - Jha, Ajay
A1  - Stuart, William
A1  - Persch, Elke
A1  - De Gasparo, Raoul
A1  - Diederich, François
A1  - Pai, Emil F.
A1  - Miller, R. J. Dwayne
T1  - The hit-and-return system enables efficient time-resolved serial synchrotron crystallography
JF  - Nature methods : techniques for life scientists and chemists
N2  - We present a ‘hit-and-return’ (HARE) method for time-resolved serial synchrotron crystallography with time resolution from milliseconds to seconds or longer. Timing delays are set mechanically, using the regular pattern in fixed-target crystallography chips and a translation stage system. Optical pump-probe experiments to capture intermediate structures of fluoroacetate dehalogenase binding to its ligand demonstrated that data can be collected at short (30 ms), medium (752 ms) and long (2,052 ms) intervals.
KW  - Biophysical chemistry
KW  - Enzymes
KW  - Molecular biophysics
KW  - X-ray crystallography
Y1  - 2018
U6  - https://doi.org/10.1038/s41592-018-0180-2
SN  - 1548-7091
SN  - 1548-7105
VL  - 15
IS  - 11
SP  - 901
EP  - 904
PB  - Nature Publishing Group (London)
CY  - London
ER  - 
TY  - JOUR
A1  - Mehrabi, Pedram
A1  - Schulz, Eike C.
A1  - Dsouza, Raison
A1  - Müller-Werkmeister, Henrike
A1  - Tellkamp, Friedjof
A1  - Miller, R. J. Dwayne
A1  - Pai, Emil F.
T1  - Time-resolved crystallography reveals allosteric communication aligned with molecular breathing
JF  - Science
N2  - A comprehensive understanding of protein function demands correlating structure and dynamic changes. Using time-resolved serial synchrotron crystallography, we visualized half-of-the-sites reactivity and correlated molecular-breathing motions in the enzyme fluoroacetate dehalogenase. Eighteen time points from 30 milliseconds to 30 seconds cover four turnover cycles of the irreversible reaction. They reveal sequential substrate binding, covalent-intermediate formation, setup of a hydrolytic water molecule, and product release. Small structural changes of the protein mold and variations in the number and placement of water molecules accompany the various chemical steps of catalysis. Triggered by enzyme-ligand interactions, these repetitive changes in the protein framework’s dynamics and entropy constitute crucial components of the catalytic machinery.
Y1  - 2019
U6  - https://doi.org/10.1126/science.aaw9904
SN  - 0036-8075
SN  - 1095-9203
VL  - 365
IS  - 6458
SP  - 1167
EP  - 1170
PB  - American Assoc. for the Advancement of Science
CY  - Washington
ER  -