Table 2. Model-refinement statistics.
Values in parentheses are for the highest resolution bin (see Table 1 ▸).
| PDB entry 7ujx (R f), 2.4 Å resolution | PDB entry 7v0g, 1.63 Å resolution | |
|---|---|---|
| R work | 0.1282 (0.1291) | 0.1167 (0.2277) |
| R free | 0.1765 (0.1867) | 0.1626 (0.2966) |
| CC(work) | 0.968 (0.959) | 0.981 (0.820) |
| CC(free) | 0.956 (0.880) | 0.962 (0.784) |
| No. of non-H atoms | ||
| Total | 3547 | 3611 |
| Macromolecule | 3011 | 3076 |
| Ligands | 39 | 39 |
| Solvent | 497 | 496 |
| Protein residues | 355 | 354 |
| R.m.s.d., bond lengths (Å) | 0.004 | 0.008 |
| R.m.s.d., angles (°) | 0.79 | 1.00 |
| Ramachandran statistics | ||
| Favored (%) | 97.66 | 98.24 |
| Allowed (%) | 2.34 | 1.76 |
| Outliers (%) | 0 | 0 |
| Rotamer outliers (%) | 1.26 | 0.31 |
| Clashscore | 3.8 | 4.68 |
| Average B (Å2) | ||
| Overall | 29.76 | 30.32 |
| Macromolecule | 26.62 | 26.17 |
| Ligands | 22.47 | 23.45 |
| Solvent | 49.34 | 56.56 |