Values in parentheses are for the outer shell.
| Native crystal | SeMet crystal | |
|---|---|---|
| Wavelength () | 0.973 | 0.979 |
| Temperature (K) | 100 | 100 |
| Detector | MAR225 | PILATUS 6M_F |
| Crystal-to-detector distance (mm) | 269.41 | 524.34 |
| Rotation range per image () | 1 | 0.1 |
| Total rotation range () | 95 | 360 |
| Exposure time per image (s) | 40 | 0.049 |
| Space group | P6422 | P6422 |
| Unit-cell parameters (, ) | a = b = 93.78, c = 167.39, = = 90, = 120 | a = b = 94.71, c = 187.05, = = 90, = 120 |
| Mosaicity () | 0.17 | 0.09 |
| Resolution range () | 50.003.00 (3.163.00) | 49.632.40 (2.532.40) |
| Total No. of reflections | 42587 (6219) | 305639 (46837) |
| No. of unique reflections | 8964 (1266) | 20138 (2869) |
| Completeness (%) | 96.9 (98.0) | 99.8 (100) |
| Multiplicity | 4.8 (4.9) | 15.2 (16.3) |
| I/(I) | 12.9 (3.2) | 37.4 (6.3) |
| R meas † | 0.142 (0.611) | 0.046 (0.571) |
| Overall B factor from Wilson plot (2) | 47.5 | 54.6 |