Table 1.
Crystallographic data collection and refinement statistics
| 1-2C/pMHC | 3-2E/pMHC | KRAS-G12wt-9/HLA-A11 | |
|---|---|---|---|
| Data collection | |||
| Space group | P 12 1 1 | P 62 2 2 | P 21 212 |
| Wavelength (Å) | 0.97918 | 0.97852 | 0.97853 |
| Unit cell dimensions | |||
| a, b, c (Å) | 156.86, 156.89, 191.97 | 117.82, 117.82, 314.73 | 49.14, 67.70, 73.10 |
| α, β, γ (°) | 77.37, 78.13, 82.27 | 90.00, 90.00, 120.00 | 90.00, 100.88, 90.00 |
| Resolution (Å) | 50.00-3.35 (3.47-3.35) a | 50.00-3.3 (3.42-3.30) | 50.00–2.2 (2.28-2.2) |
| Unique. reflections | 249244 | 20334 | 23921 |
| Rmerge | 0.199 (0.814) | 0. 263 (1.2) | 0.242 (0.658) |
| I/σ | 6.61 (1.94) | 8.33 (1.71) | 9.50 (4.00) |
| Completeness (%) | 99.0 (99.0) | 99.7 (100.0) | 99.9 (99.8) |
| Redundancy | 3.5 (3.5) | 9.3 (9.9) | 6.7 (6.9) |
| Refinement | |||
| Rwork / Rfree | 0.225/0.258 | 0.236/0.256 | 0.183/0.234 |
| No. atoms | |||
| Protein | 8199 | 6543 | 3119 |
| Ligands | 0 | 0 | 0 |
| Average B-factor (Å2) | 88.58 | 74.79 | 36.46 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.002 | 0.005 | 0.009 |
| Bond angles (°) | 0.490 | 0.730 | 1.210 |
| Ramachandran plot | |||
| Favored (%) | 98.59 | 96.41 | 98.94 |
| Allowed (%) | 1.41 | 3.59 | 1.06 |
| Outliers (%) | 0.00 | 0.00 | 0.00 |
aValues in parentheses are for highest-resolution shell.