Table 4. Refinement statistics.
| Resolution range (Å) | 46.37–1.81 (1.86–1.81) |
| Completeness (%) | 97.7 |
| σ Cutoff | None |
| No. of reflections, working set | 43716 (3133) |
| No. of reflections, test set | 2270 (154) |
| Final R cryst † | 0.161 (0.167) |
| Final R free† | 0.191 (0.200) |
| No. of non-H atoms | |
| Protein | 3316 |
| Ion | 34 |
| Solvent | 480 |
| Total | 3830 |
| R.m.s. deviations | |
| Bonds (Å) | 0.005 |
| Angles (°) | 0.796 |
| Average B factors (Å2) | |
| Protein | 19.3 |
| Ion | 38.0 |
| Water | 27.1 |
| Ramachandran plot | |
| Favored regions (%) | 96.8 |
| Outliers (%) | 0 |
†
R
cryst = 
; R
free is the R factor for a selected subset of the reflections (5%) that were not included in refinement calculations.