Table 1.
Data collection and refinement statistics.
| SADS-CoV nsp1 | FIPV nsp1 | |
|---|---|---|
| Data collection | ||
| Space group | P212121 | C121 |
| Cell axial lengths (Å) | 54.83, 60.37, 84.00 | 124.42, 86.30, 87.79 |
| Cell angles (°) | 90.00, 90.00, 90.00 | 90.00, 130.75, 90.00 |
| Wavelength | 0.97918 | 0.97918 |
| Resolution range (Å) | 29.19–2.10 | 29.52–1.80 |
| Completeness (%) | 100.0 (100.0) | 98.2 (97.1) |
| Rmerge (last shell) | 0.095 (0.985) | 0.126 (0.435) |
| I/σ (last shell) | 21.20 (2.0) | 15.27 (3.0) |
| Redundancy (last shell) | 12.9 (13.2) | 6.9 (6.7) |
| Refinement | ||
| Resolution (Å) | 29.19–2.10 | 29.52–1.80 |
| Rwork/Rfree | 0.235/0.253 | 0.187/0.207 |
| No. reflections | 16,677 | 63,361 |
| No. of protein atoms | 1560 | 3360 |
| No. of solvent atoms | 69 | 510 |
| No. of ions/ligand | 0 | 0 |
| RMSD | ||
| Bond length (Å) | 0.010 | 0.007 |
| Bond angle (°) | 0.865 | 0.868 |
| B factor (Å2) | 56.48 | 25.76 |
| Ramachandran plot core, allowed, disallowed |
98.45%, 1.55%, 0.00% |
98.77%, 1.23%, 0.00% |
The highest-resolution values are indicated in parentheses. Rmerge = ∑∑|Ii − <I>|/∑∑Ii, where Ii is the intensity measurement of reflection h, and <I> is the average intensity from multiple observations. Rwork = ∑||Fo| − |Fc||/∑|Fo|, where Fo and Fc are the observed and calculated structure factors, respectively. Rfree is equivalent to Rwork, but 5% of the measured reflections have been excluded from the refinement and set aside for cross-validation.