@article{SchulzMehrabiMuellerWerkmeisteretal.2018, author = {Schulz, Eike C. and Mehrabi, Pedram and M{\"u}ller-Werkmeister, Henrike and Tellkamp, Friedjof and Jha, Ajay and Stuart, William and Persch, Elke and De Gasparo, Raoul and Diederich, Fran{\c{c}}ois and Pai, Emil F. and Miller, R. J. Dwayne}, title = {The hit-and-return system enables efficient time-resolved serial synchrotron crystallography}, series = {Nature methods : techniques for life scientists and chemists}, volume = {15}, journal = {Nature methods : techniques for life scientists and chemists}, number = {11}, publisher = {Nature Publishing Group (London)}, address = {London}, issn = {1548-7091}, doi = {10.1038/s41592-018-0180-2}, pages = {901 -- 904}, year = {2018}, abstract = {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.}, language = {en} } @misc{MehrabiSchulzMuellerWerkmeisteretal.2018, author = {Mehrabi, Pedram and Schulz, Eike and M{\"u}ller-Werkmeister, Henrike and Persch, Elke and De Gasparo, Raoul and Diederich, Francois and Tellkamp, Friedjof and Pai, Emil F. and Miller, R. J. Dwayne}, title = {Time-resolved crystallography via an interlacing approach allows elucidation of milliseconds to seconds time delays}, series = {Acta Crystallographica Section A}, volume = {74}, journal = {Acta Crystallographica Section A}, publisher = {International Union of Crystallography}, address = {Chester}, issn = {2053-2733}, doi = {10.1107/S205327331809321X}, pages = {E138 -- E138}, year = {2018}, language = {en} } @article{MehrabiSchulzDsouzaetal.2019, author = {Mehrabi, Pedram and Schulz, Eike C. and Dsouza, Raison and M{\"u}ller-Werkmeister, Henrike and Tellkamp, Friedjof and Miller, R. J. Dwayne and Pai, Emil F.}, title = {Time-resolved crystallography reveals allosteric communication aligned with molecular breathing}, series = {Science}, volume = {365}, journal = {Science}, number = {6458}, publisher = {American Assoc. for the Advancement of Science}, address = {Washington}, issn = {0036-8075}, doi = {10.1126/science.aaw9904}, pages = {1167 -- 1170}, year = {2019}, abstract = {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.}, language = {en} }