Table 1. Data-collection statistics.
Values in parentheses are for the outermost resolution shell.
| Parameter | PuR |
| Wavelength (Å) | 1.20 |
| Space group | P3221 |
| Unit-cell parameters (Å, °) | a = 107.5, b = 107.5, c = 69.9, α = 90.000, β = 90.000, γ = 120.000 |
| Resolution (Å) | 50–2.20 (2.28–2.20) |
| Total observations | 185683 |
| Unique reflections | 23724 |
| Redundancy | 7.8 (3.8) |
| Completeness (%) | 98.8 (92.6) |
| Rmerge† (%) | 7.0 (44.0) |
| Average I/σ(I) | 19.51 (2.25) |
†
R
merge = 
, where Ii is the intensity of the ith observation and 〈I〉 is the mean intensity of the reflections.