Table 2. Refinement and model statistics.
Resolution range (Å) | 50–2.25 |
Rcryst† | 0.213 |
Rfree† | 0.274 |
No. of reflections | 24573 |
Completeness (%) | 98.1 |
No. of reflections, test set | 1256 |
Completeness, test set (%) | 5.1 |
R.m.s.d. bonds (Å) | 0.017 |
R.m.s.d. angles (°) | 1.60 |
Protein atoms | 3252 |
Nonprotein atoms | 129 |
Mean B factor (Å2) | 38.8 |
Residues in favored region | 419 (96.3%) |
Residues in allowed region | 13 (3.0%) |
Residues in disallowed region | 3 (0.7%) |
MolProbity score (percentile) | 2.34 (67th) |
PDB code | 3f9i |
R free = . The free R factor was calculated using 5% of the reflections omitted from the refinement (Winn et al., 2011 ▶).