Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | ID23-2, ESRF |
| Wavelength (Å) | 0.98 |
| Temperature (K) | 100 |
| Detector | Pilatus 6M |
| Crystal-to-detector distance (mm) | 337.55 |
| Rotation range per image (°) | 0.1 |
| Total rotation range (°) | 129 |
| Exposure time per image (s) | 0.04 |
| Space group | P21 |
| a, b, c (Å) | 86.96, 103.80, 87.11 |
| α, β, γ (°) | 90.0, 117.6, 90.0 |
| Mosaicity (°) | 0.2 |
| Resolution range (Å) | 45.0–2.42 (2.56–2.42) |
| Total No. of reflections | 126651 (20324) |
| No. of unique reflections | 50423 (8051) |
| Completeness (%) | 95.9 (95.6) |
| Multiplicity | 2.51 (2.52) |
| 〈I/σ(I)〉 | 10.81 (1.98) |
| CC1/2 | 99.7 (76.6) |
| R meas † (%) | 7.6 (58.0) |
| Overall B factor from Wilson plot (Å2) | 56.64 |
†
R
meas is defined as 
, where I
i(hkl) is the ith intensity measurement of reflection hkl and 〈I(hkl)〉 is the average intensity from multiple observations.