Table 1.
Data collection and refinement statistics
| PUS7(Δ1–98) (PDB ID: 5KKP) | |
|---|---|
| Data collection | |
| Space group | P212121 |
| Cell dimensions | |
| a, b, c (Å) | 56.4, 73.4, 138.2 |
| α, β, γ (°) | 90.0,90.0,90.0 |
| Resolution (Å) (highest resolution shell) | 50.00–2.26 (2.30–2.26) |
| Measured reflections | 364318 |
| Unique reflections | 27643 |
| R merge | 10.1 (83.2) |
| CC1/2 | 0.996 (0.795) |
| I/σI | 40.2 (1.7) |
| Completeness (%) | 99.6 (95.3) |
| Redundancy | 13.2 (8.8) |
| Refinement | |
| Resolution (Å) | 27.4–2.26 |
| No. of reflections (test set) | 27570 (695) |
| R work/ R free (%) | 21.0/26.3 (22.4/26.8) |
| No. atoms | |
| Protein | 3938 |
| Water | 82 |
| B-factors (Å2) | |
| Protein | 59.7 |
| Water | 52.1 |
| RMSD | |
| Bond lengths (Å) | 0.01 |
| Bond angles (º) | 1.08 |
| Ramachandran plot % residues | |
| Favored | 96.7 |
| Additional allowed | 3.3 |
| Disallowed | 0 |
*Values in parentheses are for highest resolution shell.