Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Form A crystal | Form B crystal | |
|---|---|---|
| Diffraction source | BL32XU, SPring-8 | BL32XU, SPring-8 |
| Wavelength (Å) | 1.0 | 1.0 |
| Temperature (K) | 100 | 100 |
| Detector | Rayonix MX225HE | Rayonix MX225HS |
| Crystal-to-detector distance (mm) | 240 | 240 |
| Rotation range per image (°) | 1.0 | 1.0 |
| Total rotation range (°) | 180 | 178 |
| Exposure time per image (s) | 1.0 | 1.0 |
| Space group | P212121 | P212121 |
| a, b, c (Å) | 52.3, 93.7, 100.2 | 61.9, 91.8, 100.9 |
| Resolution range (Å) | 93.74–2.50 (2.60–2.50) | 45.91–2.20 (2.26–2.20) |
| Total No. of reflections | 118705 | 210722 |
| No. of unique reflections | 17737 | 29974 |
| Completeness (%) | 99.8 (98.5) | 99.8 (97.2) |
| Multiplicity | 6.7 (5.9) | 7.0 (5.0) |
| 〈I/σ(I)〉 | 5.9 (1.9) | 7.8 (1.2) |
| R meas | 0.252 (0.995) | 0.208 (1.611) |
| CC1/2 | 0.989 (0.635) | 0.995 (0.477) |
| Overall B factor from Wilson plot (Å2) | 31.7 | 24.3 |