Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Wavelength (Å) | 0.9789 |
| Space group | P21 |
| Unit-cell parameters | |
| a (Å) | 47.56 |
| b (Å) | 59.48 |
| c (Å) | 94.71 |
| β (°) | 93.95 |
| Resolution (Å) | 28.44–3.80 (4.01–3.80) |
| Total No. of reflections | 23741 |
| No. of unique reflections | 5320 |
| Completeness (%) | 99.5 (100) |
| Rmerge† (%) | 11.8 (39.7) |
| 〈I/σ(I)〉 | 8.3 (3.6) |
| Average mosaicity (°) | 1.5 |
| Multiplicity | 4.1 |
†
R
merge = 
, where 〈I(hkl)〉 is the mean of the intensity measurements Ii(hkl) and the summation extends over all reflections.