Aaron Brewster

1 month ago | biorxiv.org | Aaron Brewster |Daniel W. Paley |Asmit Bhowmick |David W Mittan-Moreau

AbstractThe cctbx.xfel suite of processing programs and tools allows fast, visual analysis of serial diffraction images from synchrotrons and XFELs. Built on DIALS and cctbx, cctbx.xfel is designed for real-time and post-experiment processing with a fully featured graphical user interface.

Feb 13, 2024 | onlinelibrary.wiley.com | Aaron Brewster |Daniel W. Paley |Johannes P. Blaschke |Derek Mendez

REFERENCES 1, , , . Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction. Acta Crystallogr D Struct Biol. 2020; 76(2): 176-192. doi:10.1107/S2059798320000418 2, , , et al. Cross-facility science with the superfacility project at LBNL. 2020 IEEE/ACM 2nd Annual Workshop on Extreme-Scale Experiment-in-the-Loop Computing (XLOOP). IEEE; 2020: 1-7. doi:10.1109/XLOOP51963.2020.00006 3, , , et al. The LBNL superfacility project report.

Jan 30, 2024 | nature.com | Asmit Bhowmick |Rana Hussein |Philipp Simon |Mun Hon Cheah |Hiroki Makita |Isabela I. Nangca | +17 more

Correction to: Nature https://doi.org/10.1038/s41586-023-06038-z Published online 3 May 2023In the version of the article originally published, it was not clarified that the raw data used to obtain one of the refined structural models for the 2F state (PDB 8EZ5) were the same as those used to obtain the previously reported structural models PDB 6W1V and PDB 7RF8. This clarification has now been added as a footnote to Extended Data Table 1.

Oct 5, 2023 | science.org | Hugo Lebrette |Vivek Srinivas |Juliane John |Oskar Aurelius |Rohit Kumar |Daniel Lundin | +11 more

Sep 18, 2023 | nature.com | Alexander Wolff |Eriko Nango |Aaron Brewster |Minoru Kubo |Benjamin A. Barad |Kazutaka Ito | +9 more

AbstractUnderstanding and controlling protein motion at atomic resolution is a hallmark challenge for structural biologists and protein engineers because conformational dynamics are essential for complex functions such as enzyme catalysis and allosteric regulation. Time-resolved crystallography offers a window into protein motions, yet without a universal perturbation to initiate conformational changes the method has been limited in scope.