Table I.
X-ray data and refinement statistics
| eOnu HIVInt v1 | eOnu HIVInt v2 | |
|---|---|---|
| PDB ID | 5V0Q | 5T8D |
| Data collection | ||
| Space group | P 212 121 | P 212 121 |
| Cell dimensions | ||
| a, b, c (Å) | 39.69, 74.42, 164.86 | 39.70, 75.00, 165.16 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50.0–2.40 | 50.0–2.15 |
| Rmerge | 0.101 (0.800) | 0.093 (0.618) |
| I/σI | 26.8 (3.1) | 29.3 (3.2) |
| Completeness (%) | 99.6 (99.9) | 99.9 (99.2) |
| Redundancy | 12.2 (11.8) | 12.6 (11.0) |
| Refinement | ||
| No. reflections | 19 890 | 27 694 |
| Rwork (Rfree) | 18.56 (22.98) | 18.22 (22.95) |
| No. complex in ASU | 1 | 1 |
| No. atoms | ||
| Protein | 2374 | 2335 |
| DNA | 1066 | 1066 |
| Active site cations | 2 | 3 |
| Water | 63 | 261 |
| B-factor | 45.6 | 34.3 |
| R.m.s deviations | ||
| Bond lengths (Å) | 0.003 | 0.007 |
| Bond angles (°) | 0.632 | 0.998 |
| Ramachandran | ||
| Preferred (%) | 96.86 | 95.83 |
| Allowed (%) | 3.14 | 4.17 |
| Outliers (%) | 0 | 0 |