Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Source | Rigaku FR-E+ |
| Wavelength (Å) | 1.5417 |
| Detector | R-AXIS HTC |
| Space group | P21212 |
| Resolution (Å) | 40.00–2.20 (2.28–2.20) |
| Unit-cell parameters (Å, °) | a = 75.47, b = 78.67, c = 34.89, α = β = γ = 90 |
| Total No. of reflections | 47084 |
| No. of unique reflections | 10994 |
| Completeness (%) | 98.7 (91.9) |
| Redundancy | 4.3 (2.6) |
| I/σ(I) | 12.3 (2.4) |
| Rmerge† (%) | 10.1 (36.7) |
R
merge =
, where 〈I(hkl)〉 is the mean of the symmetry-equivalent reflections Ii(hkl).