Table 3.
Crystallographic data collection and processing
Data collection and processing were conducted at the European Synchrotron Radiation Facility (Grenoble, France) on the ID23-1 beamline. Values in parentheses represent the outer shell.
| Parameter | Value |
|---|---|
| Wavelength (Å) | 0.97 |
| Temperature (K) | 100 |
| Detector | Pilatus 6M |
| Crystal–detector distance (mm) | 250 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 200 |
| Exposure time per image (s) | 0.5 |
| Space group | P1211 |
| a, b, c (Å) | 54.1, 101.4, 116.2 |
| α, β, γ (°) | 90.0, 94.3, 90.0 |
| Resolution range (Å) | 34.0–2.0 (2.1–2.0) |
| No. of unique reflections | 83,900 |
| Completeness (%) | 96 (90.4) |
| Redundancy | 3.4 (3.4) |
| [I/σ(I)] | 13.9 (3.9) |
| Rr.i.m. | 0.07 (0.42)a |
| Overall B factor from Wilson plot (Å2) | 26.3 |
a Estimated by multiplying the conventional Rmerge value by the factor [N/(N − 1)]1/2.