Table 1. Data-collection and processing statistics.
Values in parentheses correspond to the highest resolution shell.
| Crystal form | Hexagonal | Tetragonal |
|---|---|---|
| No. of crystals | 1 | 1 |
| Beamline | X13 | X12 |
| Wavelength (Å) | 0.8080 | 0.9184 |
| Crystal-to-detector distance (mm) | 385 | 350 |
| Total rotation range (°) | 180 | 180 |
| Temperature (K) | 100 | 100 |
| Space group | P6222 or P6422 | P42212 |
| Unit-cell parameters (Å) | a = b = 136.7, c = 135.5 | a = b = 106.6, c = 104.3 |
| Resolution limits (Å) | 40.0–7.0 (7.12–7.00) | 40.0–3.2 (3.26–3.20) |
| Mosaicity (°) | 1.4 | 0.8 |
| Total No. of reflections | 23672 | 133981 |
| Unique reflections | 1305 | 10389 |
| Redundancy | 18.1 (18.6) | 12.9 (11.3) |
| I/σ(I) | 25.4 (6.1) | 25.4 (3.0) |
| Completeness (%) | 99.9 (100) | 99.1 (90.7) |
| Rmerge (%) | 13.3 (68.2) | 9.5 (69.4) |
| Rr.i.m. (%) | 13.8 (33.9) | 9.9 (72.3) |
| Rp.i.m. (%) | 3.2 (7.7) | 2.7 (20.2) |
| Overall B factor from Wilson plot (Å2) | n.d. | 59 |
| Optical resolution (Å) | 4.7 | 2.4 |