TABLE 1.
Refinement statisticsa
| Statistics | Value for the FIPV Mpro-N3-Zn2+ complex |
|---|---|
| Resolution range (Å) | 50.0–2.45 |
| No. of reflections | 12,061 |
| Rwork (%) | 21.2 |
| Rfree (%)b | 24.3 |
| No. of atoms | |
| Protein | 2,301 |
| Water | 110 |
| Ligands | 54 |
| B factors | |
| Protein | 54.4 |
| Water | 48.8 |
| Ligands | 64.3 |
| RMS deviations | |
| Bond length (Å) | 0.012 |
| Bond angle (°) | 1.23 |
| Ramachandran plot | |
| Favored regions (%) | 97.0 |
| Allowed regions (%) | 3.0 |
| Outliers (%) | 0.0 |
a
Refinement statistics were calculated with the table one utility of PHENIX.
b
Rfree was calculated with 5% of the reflection data.