Table 1. X-ray data-collection statistics.
Values in parentheses are for the last resolution shell.
| Resolution (Å) | 50–3.2 (3.26–3.20) |
| X-ray source | BM14, ESRF |
| Wavelength (Å) | 0.97625 |
| Space group | P3121 |
| Unit-cell parameters (Å, °) | a = b = 83.9, c = 131.0, α = β = 90, γ = 120 |
| Observed reflections | 84807 |
| Unique reflections | 8730 (309) |
| Completeness (%) | 97.3 (76.3) |
| Multiplicity (%) | 9.7 |
| Rmerge (%)† | 13.3 (66.9) |
| Average I/σ(I) | 14.1 (1.8) |
R
merge =
, where Ii(hkl) is the ith intensity measurement of reflection hkl and 〈I(hkl)〉 is the average intensity of that reflection.