Table 1. X-ray data-collection statistics.
Values in parentheses are for the outermost resolution shell.
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 80.23, b = 81.01, c = 122.89 |
| Resolution range (Å) | 49.0–2.0 |
| No. of observations | 239712 |
| No. of unique reflections | 54584 |
| Multiplicity | 4.4 |
| Completeness (%) | 99.5 (95.5) |
| Average I/σ(I) | 13.9 (3.0) |
| R merge † (%) | 6.7 (28.9) |
| Mosaicity (°) | 0.68 |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the average intensity of this reflection.