Table 1.
Crystallographic data collection and refinement statistics
| SARS2-CoV-2 RBD/dACE2 | |
|---|---|
| Data collection | |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 81.28, 122.88, 110.74 |
| α, β, γ (o) | 90.00, 95.07, 90.00 |
| Resolution (Å) | 50.00–3.10 (3.21–3.10) |
| Unique reflections | 39622 (3906) |
| Completeness (%) | 99.7 (99.5) |
| Rmerge | 0.106 (1.310) |
| I /σI | 13.9 (1.1) |
| CC1/2 | 0.985(0.685) |
| Redundancy | 6.8 (6.9) |
| Refinement | |
| Resolution (Å) | 48.94–3.10 |
| No. of reflections | 39,578 |
| Rwork/Rfree | 0.2260/0.2500 |
| No. of atoms | |
| Protein | 12,914 |
| Ligand/ion | 2 |
| Water | 0 |
| B-factors | |
| Protein | 118.8 |
| Ligand/ion | 219.8 |
| Water | |
| RMSD | |
| Bond lengths (Å) | 0.002 |
| Bond angles (o) | 0.478 |
| Ramachandran statistics (%) | |
| Favored | 96.44 |
| Allowed | 3.56 |
| Disallowed | 0.00 |
Values in parentheses are for highest-resolution shell.