Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| Form 1 | Form 2 | |
|---|---|---|
| Diffraction source | BL44XU, SPring-8 | BL44XU, SPring-8 |
| Wavelength (Å) | 0.9 | 0.9 |
| Temperature (K) | 100 | 100 |
| Detector | MX300-HE CCD | MX300-HE CCD |
| Crystal-to-detector distance (mm) | 270 | 300 |
| Rotation range per image (°) | 1.0 | 1.0 |
| Total rotation range (°) | 180 | 180 |
| Exposure time per image (s) | 1.0 | 1.0 |
| Space group | P212121 | C2221 |
| a, b, c (Å) | 60.8, 66.2, 105.2 | 68.3, 105.0, 61.6 |
| Resolution range (Å) | 50.0–1.80 (1.83–1.80) | 50.0–2.00 (2.03–2.00) |
| Total No. of reflections | 288954 | 102926 |
| No. of unique reflections | 39927 | 15296 |
| Completeness (%) | 99.7 (100.0) | 99.8 (100.0) |
| Multiplicity | 7.3 (7.4) | 6.7 (6.9) |
| 〈I/σ(I)〉 | 49.4 (6.3) | 44.3 (6.4) |
| R merge | 0.066 (0.472) | 0.074 (0.483) |
| R p.i.m. | 0.026 (0.185) | 0.031 (0.199) |
| Overall B factor from Wilson plot (Å2) | 22.8 | 24.8 |