Table 1. Crystallographic parameters and data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Form I | Form II | |
|---|---|---|
| Beamline | PF BL-5A | PF BL-17A |
| Temperature (K) | 100 | 100 |
| Wavelength (Å) | 1.0000 | 1.0000 |
| Resolution (Å) | 50–1.75 (1.81–1.75) | 50–3.05 (3.16–3.05) |
| Unit-cell parameters | ||
| a (Å) | 61.7 | 63.4 |
| b (Å) | 61.7 | 65.6 |
| c (Å) | 98.8 | 102.2 |
| Space group | P31 | P212121 |
| No. of reflections measured | 223054 | 30271 |
| No. of unique reflections measured | 42012 (3957) | 8366 (822) |
| Rmerge† | 0.075 (0.316) | 0.090 (0.317) |
| Data completeness (%) | 99.3 (93.2) | 97.6 (97.9) |
| Data redundancy | 5.3 (3.2) | 3.6 (3.8) |
| Average I/σ(I) | 21.9 (3.7) | 18.9 (6.0) |
| Wilson B (Å2) | 23.2 | 45.0 |
†
R
merge = 
, where 〈I(hkl)〉 is the mean intensity of a set of equivalent reflections.