Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | 7A, PLS |
| Wavelength (Å) | 0.9792 |
| Temperature (K) | 100 |
| Detector | ADSC Q315r |
| Crystal-to-detector distance (mm) | 300 |
| Rotation range per image (°) | 1.0 |
| Total rotation range (°) | 100 |
| Exposure time per image (s) | 1 |
| Space group | P61 or P65 |
| Unit-cell parameters (Å) | a = b = 109.10, c = 238.97 |
| Resolution range (Å) | 50.0–3.20 (3.27–3.20) |
| Total No. of reflections | 175273 |
| No. of unique reflections | 28224 |
| Completeness (%) | 99.4 (99.2) |
| Multiplicity | 6.2 (6.0) |
| 〈I/σ(I)〉 | 22.0 (2.4) |
| R r.i.m. † | 0.078 (0.44) |
| Overall B factor from Wilson plot (Å2) | 49.8 |
†
As this value is not available, it was estimated by multiplying the conventional R merge value by the factor [N/(N − 1)]1/2, where N is the data redundancy.