Table 1.
Data Collection and Refinement Statistics
| VP16-Type-1 | VP16-Type-2 | VP16-Virus-Derived | VP17 | VP16/VP17 Complex | |
|---|---|---|---|---|---|
| Data Collection | |||||
| Space group | P6222 | C2 | P212121 | P6122 | C2 |
| Cell dimensions | |||||
| a, b, c (Å) | 61.85, 61.85, 251.22 | 76.60, 68.57, 31.58 | 41.41, 77.05, 403.00 | 107.21, 107.21, 233.78 | 76.78, 69.61, 81.62 |
| α, β, γ (°) | 90, 90, 120 | 90, 96.44, 90 | 90, 90, 90 | 90, 90, 120 | 90, 104.99, 90 |
| Resolution (Å) | 62.8–1.80 (1.85–1.80) | 34.3–1.26 (1.30–1.26) | 41.1–2.36 (2.42–2.36) | 59.7–2.26 (2.32–2.27) | 39.6-1.53 (1.57–1.53) |
| Rmerge | 0.075 (1.045) | 0.053 (0.626) | 0.114 (1.137) | 0.082 (0.917) | 0.064 (1.015) |
| I/σI | 30.7 (3.3) | 23.1 (2.6) | 7.5 (1.3) | 38.6 (5.3) | 17.7 (2.9) |
| Completeness (%) | 100 (100) | 85.8 (41.4) | 99.1 (99.6) | 100 (100) | 98.4 (83.3) |
| Redundancy | 28.5 (21.0) | 7.5 (6.5) | 3.2 (3.3) | 35.5 (36.6) | 6.3 (4.4) |
| Refinement | |||||
| Resolution (Å) | 53.56–1.80 | 17.79–1.26 | 42.16–2.36 | 43.94–2.26 | 22.40–1.53 |
| Number of reflections | 27,503 | 37,133 | 53,974 | 37,808 | 61,425 |
| Rwork/Rfree | 0.189/0.215 | 0.156/0.184 | 0.193/0.234 | 0.186/0.213 | 0.172/0.197 |
| Number of atoms | |||||
| Protein | 1,350 | 1,237 | 10,375 | 3,623 | 2,937 |
| Ligand/ion | 24 | 14 (1 citrate) | 4 | 0 | 2 |
| Water | 213 | 255 | 348 | 424 | 395 |
| B factors | |||||
| Protein | 41.9 | 13.2 | 52.4 | 50.6 | 27.3 |
| Ligand/ion | 63.8 | 15.6 | 43.3 | – | 27.9 |
| Water | 54.1 | 29.0 | 47.7 | 58.8 | 40.8 |
| RMSDs | |||||
| Bond lengths (Å) | 0.010 | 0.010 | 0.010 | 0.010 | 0.010 |
| Bond angles (°) | 1.03 | 1.08 | 1.07 | 1.14 | 1.07 |
Values in parentheses are for highest resolution shell. Each data set was collected from one crystal.