Serial femtosecond crystallography datasets from G protein-coupled receptors

Thomas A. White, Anton Barty, Wei Liu, Andrii Ishchenko, Haitao Zhang, Cornelius Gati, Nadia Zatsepin, Shibom Basu, Dominik Oberthur, Markus Metz, Kenneth R. Beyerlein, Chun Hong Yoon, Oleksandr M. Yefanov, Daniel James, Dingjie Wang, Marc Messerschmidt, Jason E. Koglin, Sebastien Boutet, Uwe Weierstall, Vadim Cherezov

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Abstract

We describe the deposition of four datasets consisting of X-ray diffraction images acquired using serial femtosecond crystallography experiments on microcrystals of human G protein-coupled receptors, grown and delivered in lipidic cubic phase, at the Linac Coherent Light Source. The receptors are: the human serotonin receptor 2B in complex with an agonist ergotamine, the human δ-opioid receptor in complex with a bi-functional peptide ligand DIPP-NH2, the human smoothened receptor in complex with an antagonist cyclopamine, and finally the human angiotensin II type 1 receptor in complex with the selective antagonist ZD7155. All four datasets have been deposited, with minimal processing, in an HDF5-based file format, which can be used directly for crystallographic processing with CrystFEL or other software. We have provided processing scripts and supporting files for recent versions of CrystFEL, which can be used to validate the data.

Original languageEnglish (US)
Article number160057
JournalScientific data
Volume3
DOIs
StatePublished - Aug 1 2016

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ASJC Scopus subject areas

  • Education
  • Library and Information Sciences
  • Computer Science Applications
  • Information Systems
  • Statistics, Probability and Uncertainty
  • Statistics and Probability

Cite this

White, T. A., Barty, A., Liu, W., Ishchenko, A., Zhang, H., Gati, C., Zatsepin, N., Basu, S., Oberthur, D., Metz, M., Beyerlein, K. R., Yoon, C. H., Yefanov, O. M., James, D., Wang, D., Messerschmidt, M., Koglin, J. E., Boutet, S., Weierstall, U., & Cherezov, V. (2016). Serial femtosecond crystallography datasets from G protein-coupled receptors. Scientific data, 3, [160057]. https://doi.org/10.1038/sdata.2016.57