Table 1. Data collection and processing.
Values in parentheses are for the outer shell.
| Structure | C-PC, P63-large | C-PC, P63-small | C-PC, R32 | C-PC, P21212 |
|---|---|---|---|---|
| Diffraction source | P11, PETRA III, DESY | P11, PETRA III, DESY | P11, PETRA III, DESY | P11, PETRA III, DESY |
| Wavelength (Å) | 1.0332 | 1.0332 | 1.0332 | 1.0332 |
| Temperature (K) | 100 | 100 | 100 | 100 |
| Detector | PILATUS3 S 6M | PILATUS3 S 6M | PILATUS3 S 6M | PILATUS3 S 6M |
| Crystal-to-detector distance (mm) | 300 | 160 | 225 | 160 |
| Rotation range per image (°) | 0.1 | 0.1 | 0.1 | 0.2 |
| Total rotation range (°) | 200 | 200 | 180 | 100 |
| Exposure time per image (s) | 0.05 | 0.05 | 0.05 | 0.05 |
| Space group | P63 | P63 | R32 | P21212 |
| a, b, c (Å) | 153.51, 153.51, 39.36 | 108.20, 108.20, 66.05 | 187.17, 187.17, 59.93 | 118.36, 98.23, 104.6 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 90 |
| Mosaicity (°) | 0.103 | 0.078 | 0.05 | 0.23 |
| Resolution range (Å) | 44.32–1.82 (1.88–1.82) | 46.86–1.45 (1.50–1.45) | 48.19–1.29 (1.33–1.29) | 47.84–2.16 (2.23–2.16) |
| Total No. of reflections | 526799 | 439602 | 890243 | 488033 |
| No. of unique reflections | 48123 (4751) | 77962 (7750) | 99231 (9099) | 65961 (6460) |
| Completeness (%) | 99.9 (99.8) | 99.9 (99.8) | 99.0 (91.3) | 99.4 (96.8) |
| Multiplicity | 11.13 | 5.73 | 8.97 | 7.41 |
| 〈I/σ(I)〉 | 22.2 (0.82) | 9.95 (0.53) | 31.44 (4.44) | 7.41 (0.69) |
| R r.i.m. (%) | 6.1 (267) | 9.6 (98.8) | 3.7 (39.5) | 26.1 (292) |
| Overall B factor from Wilson plot (Å2) | 41.33 | 23.60 | 14.33 | 38.62 |