Table 1. Data collection and processing.
| Diffraction source | BL17U, SSRF |
| Wavelength (Å) | 1.000 |
| Temperature (K) | 100 |
| Detector | ADSC Quantum 315r |
| Crystal-to-detector distance (mm) | 200 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 180 |
| Exposure time per image (s) | 10 |
| Space group | P212121 |
| a, b, c (Å) | 56.48, 78.60, 81.99 |
| α, β, γ (°) | 90, 90, 90 |
| Mosaicity (°) | 2.4 (2.9) |
| Resolution range (Å) | 48.3–2.50 (2.62–2.50) |
| Total No. of reflections | 114950 |
| No. of unique reflections | 12912 |
| Completeness (%) | 98.1 (99.9) |
| Multiplicity | 6.8 (6.3) |
| CC1/2 † | 0.981 (0.989) |
| 〈I/σ(I)〉 | 22.0 (11.3) |
| R r.i.m. ‡ | 0.053 (0.203) |
| Overall B factor from Wilson plot (Å2) | 26.99 |
†
CC1/2 is Pearson’s correlation coefficient between random half data sets.
‡
R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.