Table 3. A comparison of refinement and geometry statistics is provided for the original model (PDB entry 2z8c) and for the model resolved using PDB entry 1ir3 as the search model and refined with LORESTR (Fig. 5 ▸).
| Structure | R work (%) | R free (%) | Difference between R free and R work (%) | Ramachandran favoured (%) | Ramachandran outliers (%) | Clashscore | Clashscore percentile | MolProbity score | MolProbity score percentile |
|---|---|---|---|---|---|---|---|---|---|
| 2z8c | 21.7 | 29.2 | 7.5 | 78.2 | 5.0 | 28.2 | 33.0 | 3.41 | 28.2 |
| After LORESTR in auto mode | 23.2 | 25.2 | 2.0 | 90.3 | 4.0 | 10.5 | 68.0 | 2.78 | 55.1 |
| Resolved with 1ir3, then LORESTR | 18.6 | 23.4 | 4.8 | 96.0 | 1.3 | 5.1 | 89.0 | 1.88 | 90.7 |