Raw diffraction images of AcNiR and AxNiR by SF-ROX at SACLA

Diffraction images of copper nitrite reductase (NiR) from Alcaligenes xylosoxidans (PDB code: 5ONX) and from Achromobacter cycloclastes (PDB codes: 6GSQ, 6GT0, 6GT2). They were collected using X-ray free electron laser from SACLA at 10 keV with the serial femtosecond rotation crystallography (SF-ROX) method. The MX225-HS CCD detector was used to record images.

AxNiR crystals belong to R3 space group with a=b=89.97, c=143.56 Å in a hexagonal setting. 4403 images were collected from 64 crystals, and 3236 images were merged at 1.6 Å resolution using CrystFEL 0.6.1 in the published result (Halsted et al., IUCrJ, 2018). The experiment was carried out on BL3 EH4 in May 2016.

AcNiR crystals all belong to P213 space group with a~95 Å. For OX/NIT/RED states, 1867/1257/581 images were collected from 75/62/33 crystals and 1377/1039/410 images were merged at 1.5/1.5/1.6 Å resolution using CrystFEL 0.6.3, respectively, in the published result (Halsted et al., IUCrJ, 2019). The experiment was carried out on BL2 EH3/4b at SACLA in October 2017.

Note that

The first image in each run is unuseful due to a control problem. These images are included.

Indexing ambiguities in the CrystFEL stream files are not resolved. We used ambigator.