10.5281/zenodo.1209491
https://zenodo.org/records/1209491
oai:zenodo.org:1209491
Kunio Hirata
Kunio Hirata
0000-0002-1491-6509
RIKEN/SPring-8 Center
Thaumatin data collected with the SSROX scheme implemented in ZOO system
Zenodo
2018
ZOO, BL32XU, protein crystallography
2018-12-18
10.5281/zenodo.1209490
Creative Commons Attribution 4.0 International
Using tetragonal thaumatin crystals, we collected SS-ROX datasets with 1° per frame in 30 Hz using a 10 × 18 μm2 beam without any attenuation (6.2 × 1012 photons/frame), absorbed dose was ~8 MGy/frame. Of 23,586 snapshots collected using nine loops, 3,263 snapshots were identified as hits based on the criterion of more than nine spots in the lower resolution range picked by SHIKA. Of these, 2,154 snapshots were indexed and integrated using XDS through kamo.single_images_integration and merged by averaging all observations to 1.4 Å in the Monte-Carlo fashion using kamo.merge_single_integrated_frames. The structure was solved by rigid body refinement using the isomorphous thaumatin structure (PDB code: 1RQW). After a few cycles of manual inspection using Coot and automated refinement with phenix.refine, refinement was converged with Rwork and Rfree values of 0.1906 and 0.2018, respectively. The uploaded file includes datasets collected from nine cryoloops