Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Unit-cell parameters | |
| a = b (Å) | 146.2 |
| c (Å) | 204.3 |
| α = β (°) | 90.0 |
| γ (°) | 120.0 |
| Space group | P61 |
| Wavelength (Å) | 1.0000 |
| Resolution (Å) | 50.00–3.60 (3.66–3.60) |
| Total No. of reflections | 218698 (10900) |
| No. of unique reflections | 28872 (1454) |
| Completeness (%) | 100.0 (100.0) |
| Average I/σ(I) | 6.2 (3.4) |
| Rmerge† (%) | 14.4 (44.8) |
R
merge =
, where 〈I(hkl)〉 is the mean of the observations I
i(hkl) of reflection hkl.