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.