Table 1. X-ray data-collection statistics.
Values in parentheses are for the outer shell.
| Resolution (Å) | 50–1.89 (1.96–1.89) |
| Wavelength (Å) | 1.0 |
| Data-collection temperature (K) | 110 |
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 74.9, b = 91.1, c = 149.2, β = 90.32 |
| No. of observed reflections | 393136 |
| No. of unique reflections | 151061 |
| Completeness (%) | 94.1 (90.4) |
| Mean I/σ(I) | 10.8 (2.0) |
| Rmerge† (%) | 8.4 (47.4) |
†
R
merge = 
, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.