TABLE 3.
Data collection and refinement statistics
Values in parentheses are for the highest resolution shell. r.m.s.d., root mean square deviation.
| Data collection | |
| Wavelength (Å) | 0.976 |
| Crystal-to-detector distance (mm) | 232.1 |
| Exposure time (s) | 12 |
| Number of frames | 360 |
| Unit cell parameters (Å; °) | a = 71.55, b = 71.55, c = 268.63; α = 90, β = 90, γ = 120 |
| Space group | P6122 |
| Resolution (Å) | 25.0-2.20 (2.24-2.20) |
| Unique reflections | 21721 (1082) |
| Multiplicity | 8.0 (8.5) |
| Completeness (%) | 99.6 (100) |
| I/σ(I) | 27.14 (3.2) |
| Rmerge | 0.076 (0.482) |
| Refinement | |
| Resolution (Å) | 24.6-2.20 |
| Reflections in work set/test set | 20,543/1,105 |
| Rwork/Rfree (%) | 20.5/25.0 |
| Stereochemistry | |
| r.m.s.d. in bond lengths (Å) | 0.008 |
| r.m.s.d. in bond angles (°) | 1.17 |
| Ramachandran plot | |
| Residues in most favored regions (%) | 93.7 |
| Residues in additionally allowed regions (%) | 6.3 |