Table 1. Diffraction data statistics.
Values in parentheses are for the outermost resolution shell.
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 88.3, b = 120.7, c = 93.0, α = 90, β = 97.5, γ = 90 |
| Wavelength (Å) | 0.954 |
| Resolution range (Å) | 49.0–2.80 (2.90–2.80) |
| Total observations | 140965 |
| Unique reflections | 46204 (4593) |
| Multiplicity | 3.1 (3.1) |
| Completeness (%) | 98.3 (98.2) |
| Mean I/σ(I) | 28.7 (2.9) |
| R merge † | 0.064 (0.54) |
| R p.i.m. | 0.078 (0.65) |
| R r.i.m. | 0.043 (0.35) |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith measurement of a symmetry-related reflection with indices hkl.