Table 1. Data-collection and processing statistics for the TDH crystals.
Values in parentheses are for the highest resolution shell.
| Form I | Form II | |
|---|---|---|
| Possible space group | P21212 | |
| Unit-cell parameters (Å) | a = 104.8, b = 112.4, c = 61.3 | a = 122.9, b = 123.3, c = 89.8 |
| Resolution range (Å) | 30.0–2.7 (2.8–2.7) | 30.0–2.6 (2.7–2.6) |
| Total reflections | 126357 | 250747 |
| Unique reflections | 20575 (1999) | 42546 (4092) |
| Mosaicity (°) | 0.509 | 0.702 |
| Multiplicity | 6.1 (6.1) | 5.9 (5.4) |
| Completeness (%) | 100 (100) | 100 (97) |
| Mean I/σ(I) | 20.0 (3.9) | 14.9 (2.7) |
| Rmerge† | 0.095 (0.487) | 0.109 (0.484) |
†
R
merge = 
, where Ii(hkl) is the observed intensity of reflection hkl and 〈I(hkl)〉 is the average intensity of symmetry-related reflections.