Dataset Open Access

Thaumatin data collected with the SSROX scheme implemented in ZOO system

Kunio Hirata

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

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