Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| Space group | C121 |
| Unit-cell parameters (Å, °) | a = 138.6, b = 116.7, c = 115.3, α = γ = 90.0, β = 124.0 |
| Wavelength (Å) | 1.00000 |
| Resolution range (Å) | 50–1.80 (1.83–1.80) |
| Completeness (%) | 97.5 (92.4) |
| Redundancy | 5.2 (3.0) |
| Rmerge† (%) | 4.9 (29.7) |
| Average I/σ(I) | 33.1 (2.2) |
| Total reflections | 705157 |
| Unique reflections | 136815 |
| Molecules per asymmetric unit | 2 |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith observation and 〈I(hkl)〉 is the mean intensity of reflections.