Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | BL17U1, SSRF |
| Wavelength (Å) | 0.97915 |
| Temperature (K) | 100 |
| Detector | ADSC Q315r |
| Crystal-to-detector distance (mm) | 249.77 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 180 |
| Exposure time per image (s) | 1 |
| Space group | P41212 |
| a, b, c (Å) | 72.73, 72.73, 171.31 |
| α, β, γ (°) | 90, 90, 90 |
| Mosaicity (°) | 0.74 |
| Resolution range (Å) | 49.26–1.70 (1.79–1.70) |
| Total No. of reflections | 331630 (38606) |
| No. of unique reflections | 51175 (7164) |
| Completeness (%) | 99.4 (97.5) |
| Multiplicity | 6.5 (5.4) |
| 〈I/σ(I)〉 | 13.7 (4.3) |
| R merge (%) | 8.3 (33.8) |
| R r.i.m. † (%) | 9.0 (37.4) |
| Overall B factor from Wilson plot (Å2) | 17.134 |
†
R r.i.m., the precision-indicating merging R factor, is R merge adjusted by a factor of [1/(N − 1)]1/2, where N is the number of times a given reflection is observed.