Table 1.
Statistics for data processing and model refinement of SARS-CoV Mpro with baicalein.
| PDB code | 7XAX |
|---|---|
| Synchrotron | SSRF |
| Beam line | BL02U1 |
| Wavelength (Å) | 0.97919 |
| Space group | P1 |
| a, b, c (Å) | 55.51, 60.55, 68.28 |
| α, β, γ (°) | 90.95, 120.71, 108.65 |
| Total reflections | 129,291 |
| Unique reflections | 37,931 |
| Resolution (Å) | 2.25 (2.31–2.25) |
| R-merge (%) | 7.1 (66.2) |
| Mean I/σ (I) | 11.0/1.8 |
| Completeness (%) | 97.7 (96.2) |
| Redundancy | 3.4 (3.5) |
| Resolution (Å) | 66.31–2.25 |
| Rwork/Rfree (%) | 22.92/27.74 |
| Atoms | 4442 |
| Mean temperature factor (Å2) | 46.1 |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 0.973 |
| Ramachandran plot (%) | |
| Preferred | 97.11 |
| Allowed | 2.89 |
| outliers | 0 |