Table 2.
Data collection and refinement statistics in crystallography
| Crystallographic dataa | |
| Space group | P31 |
| Unit cell | |
| a/b/c (Å) | 45.32/45.32/97.89 |
| α/β/γ (°) | 90.0/90.0/120.0 |
| Wavelength (Å) | 1.000 |
| Resolution range (outer shell) (Å) | 48.94–1.79 (1.89–1.79) |
| Total reflections | 132 085 |
| Unique reflections | 19 724 |
| Completeness (outer shell) (%) | 93.2 (100.0) |
| Redundancy (outer shell) | 6.7 (6.1) |
| R merge (outer shell) (%) | 10.5 (35.3) |
| Average I/σ(I) (outer shell) | 11.6 (4.8) |
| Refinement | |
| R work/Rfree (%) | 23.0/27.1 |
| RMSD from ideal values | |
| Bond length (Å) | 0.004 |
| Bond angle (°) | 1.2 |
| Ramachandran plot (%) | |
| Favored | 94.1 |
| Allowed | 5.9 |
| Average B-factors (Å2) (number of atoms) | |
| Protein | |
| Chain A | 45.9 (676) |
| Chain B | 43.1 (670) |
| DNA | |
| Chain C | 32.1 (242) |
| Chain D | 31.8 (271) |
| Water | 44.5 (69) |
aParameters for the dataset used in the final refinement (dataset 1) are shown (see the ‘Materials and Methods’ section). Those for the dataset used in the initial molecular replacement (dataset 2) are shown in Supplementary Data, Supplementary Table S1.