Table 1. Data-collection statistics.
Values in parentheses are for the outermost resolution shell.
| Form I | Form II | |
|---|---|---|
| Beamline | BL-5A (PF) | BL-17A (PF) |
| Crystal-to-detector distance (mm) | 220.0 | 154.2 |
| Oscillation angle (°) | 1.0 | 1.0 |
| Exposure time (s) | 5 | 10 |
| Wavelength (Å) | 0.9790 | 1.0000 |
| Space group | C2 | P21 |
| Unit-cell parameters (Å, °) | a = 136.2, b = 53.6, c = 55.1, β = 112.8 | a = 56.2, b = 64.7, c = 116.1, β = 95.1 |
| Resolution limits (Å) | 17.0–1.60 (1.68–1.60) | 17.0–1.90 (2.00–1.90) |
| Observations | 218578 (24531) | 322721 (44622) |
| Unique reflections | 48034 (6404) | 63363 (8868) |
| Completeness (%) | 98.8 (97.0) | 96.6 (95.4) |
| Average I/σ(I) | 28.4 (5.3) | 20.0 (5.6) |
| Redundancy | 4.6 (3.8) | 5.1 (5.0) |
| Rmerge | 0.033 (0.264) | 0.067 (0.355) |
| Mosaicity (°) | 0.51 | 0.27 |