Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Resolution range () | 41.21.85 (1.871.85) |
| Completeness (%) | 100.0 |
| No. of reflections, working set | 64347 (2643) |
| No. of reflections, test set | 3308 (134) |
| Final R cryst | 0.186 (0.2553) |
| Final R free | 0.235 (0.3006) |
| No. of non-H atoms | |
| Protein | 5451 |
| Solvent | 730 |
| Total | 6181 |
| R.m.s. deviations | |
| Bonds () | 0.009 |
| Angles () | 1.156 |
| Average B factors (2) | |
| Protein | 27.01 |
| Ramachandran plot | |
| Most favoured (%) | 98.33 |
| Allowed (%) | 1.67 |
| Outliers (%) | 0.00 |
| MolProbity scores | |
| Rotamer outliers (%) | 0.9 |
| Overall score | 1.22 |
| PDB code | 4zg1 |