Table 1.
Statistics of data collection and crystallographic refinement
| Crystal | HRS (residues 346-354) PTPSAPVPL |
Apo UEV | Wild type HIV-1 Gag PEPTAPPEE |
P7A Mutant HIV-1 Gag PEATAPPEE |
|---|---|---|---|---|
| Constructs | TSG101 (2-145) 43-48 GTG P212121 |
TSG101 (2-145) 43-48 GTG P21 |
TSG101 (2-145) 43-48 GTG P212121 |
TSG101 (2-145) 43-48 GTG P212121 |
| Space group, unit cell | a = 33.6 Å, b = 45.1 Å, c = 87.7 Å |
a = 33.6 Å, b = 45.7 Å, c = 50.2 Å β = 108.3 |
a = 33.5 Å, b = 45.8 Å, c = 85.4 Å |
a = 33.5 Å, b = 45.8 Å, c = 89.0 Å |
| X-ray source | APS 22-ID | APS 22-ID | APS 22-BM | APS 22-ID |
| Wavelength (Å) | 1.0000 | 1.0000 | 1.0000 | 1.0000 |
| Resolution (Å) (last shell) |
1.4 (1.40 – 1.42) | 1.5 (1.50 – 1.53) | 1.6 (1.60 – 1.63) | 1.6 (1.60 – 1.63) |
| No. of unique reflections | 25924 | 22570 | 17689 | 18234 |
| I/σ(I)σ (last shell) | 28.9 (3.6) | 47.5 (25.3) | 30.4 (4.1) | 25.3 (6.6) |
| Rsym a (%) | 6.3 (34.3) | 3.9 (9.2) | 7.6 (32.8) | 6.3 (23.2) |
| Data completeness (%) | 96.1 (97.3) | 97.1 (96.2) | 98.8 (93.5) | 97.1 (90.5) |
| Refinement | ||||
| R factor b (%) | 20.7 (24.1) | 21.5 (21.0) | 19.9 (24.0) | 20.6 (21.9) |
| Free R factor c (%) | 22.4 (24.5) | 23.2 (22.8) | 23.5 (27.8) | 23.0 (27.4) |
| R.m.s. bond length (Å) | 0.005 | 0.005 | 0.005 | 0.005 |
| R.m.s. bond angle (°) | 1.3 | 1.3 | 1.3 | 1.3 |
| Average B value (Å2) d | 15.8 | 15.2 | 17.8 | 15.6 |
| Number of atoms | protein 1195 water 214 |
protein 1121 water 217 |
protein 1207 water 156 |
protein 1193 water 125 |