Journal Article

Small-wedge synchrotron and serial XFEL datasets for Cysteinyl leukotriene GPCRs

Cherezov, Vadim, Bukhdruker, Sergey, Gusach, Anastasiia, Mishin, Alexey, Marin, Egor, Kovalev, Kirill, Khorn, Polina, Rogachev, Andrey, Luginina, Aleksandra, Gordeliy, Valentin, Polovinkin, Vitaly, Borshchevskiy, Valentin, Lyapina, Elizaveta

2020

Overview

Structural studies of challenging targets such as G protein-coupled receptors (GPCRs) have accelerated during the last several years due to the development of new approaches, including small-wedge and serial crystallography. Here, we describe the deposition of seven datasets consisting of X-ray diffraction images acquired from lipidic cubic phase (LCP) grown microcrystals of two human GPCRs, Cysteinyl leukotriene receptors 1 and 2 (CysLT 1 R and CysLT 2 R), in complex with various antagonists. Five datasets were collected using small-wedge synchrotron crystallography (SWSX) at the European Synchrotron Radiation Facility with multiple crystals under cryo-conditions. Two datasets were collected using X-ray free electron laser (XFEL) serial femtosecond crystallography (SFX) at the Linac Coherent Light Source, with microcrystals delivered at room temperature into the beam within LCP matrix by a viscous media microextrusion injector. All seven datasets have been deposited in the open-access databases Zenodo and CXIDB. Here, we describe sample preparation and annotate crystallization conditions for each partial and full datasets. We also document full processing pipelines and provide wrapper scripts for SWSX and SFX data processing. A Correction to this paper has been published: https://doi.org/10.1038/s41597-020-00759-w Measurement(s) X-ray diffraction data • protein complex • protein structure data • protein crystallization Technology Type(s) small-wedge synchrotron crystallography • x-ray crystallography assay • X-ray free electron laser serial femtosecond crystallography Factor Type(s) type of G-protein-coupled receptor • type of antagonist Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13128758

• Publisher: Nature Publishing Group UK,Nature Publishing Group
• Subject: 631/114/2402 / 631/535/1266/1265 / Crystallization / Crystallography / Crystals / Cysteine - chemistry / Data Descriptor / Data publication and archiving / Datasets / G protein-coupled receptors / Humanities and Social Sciences / Humans / Leukotrienes - chemistry / Life Sciences / MATHEMATICS AND COMPUTING / multidisciplinary / Nanocrystallography / Protein structure / Proteins / Receptors, G-Protein-Coupled - chemistry / Science / Science (multidisciplinary) / Synchrotrons / X-ray crystallography / X-Ray Diffraction