Table 1. Data-collection statistics for crystals from conditions A and B .
Values in parentheses are for the highest resolution shell.
| Condition A | Condition B | |
|---|---|---|
| Space group | Primitive orthorhombic | Primitive monoclinic |
| Unit-cell parameters | ||
| a (Å) | 45.95 | 129.30 |
| b (Å) | 60.95 | 45.29 |
| c (Å) | 119.91 | 131.90 |
| β (°) | 116.39 | |
| Matthews coefficient (Å3 Da−1) | 2.40 | 2.47 |
| No. of molecules in ASU | 1 | 4 |
| Solvent content (%) | 48.7 | 50.2 |
| Resolution (Å) | 42.74–1.10 (1.14–1.10) | 50.0–2.93 (3.01–2.93) |
| Total observations | 1203126 | 730522 |
| Unique reflections | 133460 | 30834 |
| Completeness (%) | 97.2 (94.2) | 99.6 (99.4) |
| Rmerge† (%) | 12.1 (48.2) | 10.4 (49.3) |
| Average I/σ(I) | 6.4 (2.0) | 13.7 (2.6) |
| Mosaicity (°) | 0.36 | 0.72 |
| Data-processing program used | d*TREK | HKL-2000 |
†
R
merge = 
, where I
j(hkl) and 〈I(hkl)〉 are the intensity of measurement j and the mean intensity for the reflection with indices hkl, respectively.