Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | DESY beamline P14 |
| Wavelength (Å) | 0.976250 |
| Temperature (K) | 100 |
| Detector | Dectris EIGER2 CdTe 16M |
| Crystal-to-detector distance (mm) | 374.26 |
| Rotation range per image (°) | 0.1 |
| Total rotation range (°) | 450 |
| Exposure time per image (s) | 0.01 |
| Space group | P212121 |
| a, b, c (Å) | 50.38, 66.66, 101.40 |
| α, β, γ (°) | 90, 90, 90 |
| Mosaicity (°) | 0.184 |
| Resolution range (Å) | 45.12–2.43 |
| Total No. of reflections | 218261 |
| No. of unique reflections | 24805 |
| Completeness (%) | 99.8 (99.8) |
| Multiplicity | 8.8 (7.8) |
| CC1/2 | 99.9 (69.4) |
| 〈I/σ(I)〉 | 13.03 (1.49)† |
| R meas (%) | 0.0944 (1.663) |
| Overall B factor from Wilson plot (Å2) | 70.47 |
†
The cutoff was chosen according to CC1/2. The mean I/σ(I) falls below 2.0 at 2.53 Å resolution.