Table 1.
X-ray data collection and refinement details
| HRPV-6 VP5 | HRPV-2 VP5 | |
|---|---|---|
| Data collection | ||
| Space group | P6522 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 114.3, 114.3, 445.2 | 48.1, 93.2, 121.8 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 90 |
| Resolution (Å) | 90.45–2.69 (2.76–2.69)a | 46.61–2.46 (2.52–2.46)a |
| R merge | 16.5 (198.3) | 12.6 (40.0) |
| I / σI | 17.4 (1.8) | 10.2 (2.2) |
| Completeness (%) | 99.9 (99.8) | 81.4 (36.3) |
| Redundancy | 25.8 (22.5) | 4.6 (2.9) |
| CC1/2 | 0.99 (0.75) | 0.98 (0.72) |
| Refinement | ||
| Resolution (Å) | 82.35–2.69 | 81.25–2.46 |
| No. of reflections | ||
| Rwork / Rfree | 0.218/0.233 | 0.224/0.241 |
| No. of atoms | ||
| Protein | 5493 | 3740 |
| Ligand/ion | 25 | 18 |
| Water | 196 | 75 |
| B-factors (Å2) | 76.2 | 39.4 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.009 | 0.008 |
| Bond angles (°) | 1.1 | 1.0 |
aValues in parentheses are for highest-resolution shell. Number of crystals: 1