Table 1.
Data collection and refinement statistics
| SARS2 PLpro~Ub | SARS2 PLpro~ISG15CTD | |
|---|---|---|
| Data collection | ||
| Space group | P 21 21 2 | P 41 21 2 |
| Cell dimensions | ||
| a, b, c (Å) | 64.99, 144.41, 49.60 | 124.17, 124.17, 238.17 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
| Resolution (Å) | 48.30–2.70 (2.83–2.70) | 49.28–2.90 (3.01–2.90) |
| R merge (within I+/I−) | 0.152 (1.054) | 0.163 (2.876) |
| < I/σI > | 6.8 (1.8) | 10.5 (1.1) |
| Completeness (%) | 98.1 (98.9) | 100.0 (100.0) |
| Redundancy | 4.6 (4.7) | 13.7 (14.2) |
| Refinement | ||
| Resolution (Å) | 48.30–2.70 | 49.28–2.90 |
| No. reflections | 13,004 | 42,059 |
| R work/R free | 0.210/0.260 | 0.200/0.231 |
| No. atoms | ||
| Protein | 2,986 | 8,876 |
| Ligand/ion | 5 | 63 |
| Water | 32 | 30 |
| B‐factors | ||
| Protein | 58.2 | 102.1 |
| Ligand/ion | 53.1 | 101.7 |
| Water | 45.8 | 77.9 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.0024 | 0.0059 |
| Bond angles (°) | 0.66 | 0.94 |
Values in parentheses are for highest resolution shell. All datasets were collected from a single crystal each.