Table 1. Data-collection and processing statistics.
Space group | P212121 |
Unit-cell parameters (Å) | a = 43.5, b = 82.8, c = 153.4 |
Temperature (K) | 120 |
Wavelength (Å) | 1.5418 |
Oscillation steps | 101 |
Crystal-to-detector distance (mm) | 120 |
Resolution limit (Å) | 50.0–3.0 |
Exposure time per image (s) | 60 |
No. of observed reflections | 46241 |
Total No. of unique reflections collected | 11436 |
Completeness (%) | 97.6 (94.3) |
Rmerge | 12.7 (36.3) |
No. of molecules in ASU | 2 |
〈I/σ(I)〉 | 3.6 (1.4) |
Matthews coefficient (Å3 Da−1) | 2.87 |
Solvent content (%) | 57 |