Table 1. Data-processing and molecular-replacement statistics.
Values in parentheses are for the highest resolution shell.
| Data processing | |
| Data-processing software | HKL-2000 |
| Space group | P3221 |
| Unit-cell parameters (Å) | a = 114.2, c = 93.9 |
| Matthews coefficient (Å3 Da−1) | 3.16 |
| Solvent content (%) | 61.06 |
| No. of molecules in the asymmetric unit | 3 |
| No. of unique reflections | 36081 |
| No. of observed reflections | 211450 |
| Redundancy | 5.9 (4.9) |
| Resolution range (Å) | 50.0–2.18 (2.26–2.18) |
| Completeness (%) | 96.4 (91.2) |
| Rmerge† (%) | 8.3 (23.1) |
| 〈I/σ(I)〉 | 19.28 (5.26) |
| Wilson B factor (Å2) | 31.25 |
| Molecular replacement | |
| Overall correlation coefficients (%) | |
| Rotation function | 11.5 |
| Translation function | 35.9 |
| Refine fitting | 45.1 |
| Rigid-body refinement R factor (%) | 39.4 |
†
R
merge = 
, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.