Table 1.
Data collection and refinement statistics (molecular replacement)
| LS01-HLA-A*02/M1 | LS01-HLA-A*02/M1 | |
|---|---|---|
| Data collection | ||
| Space group | P 1 21 1 | P 1 |
| Cell dimensions | ||
| a, b, c (Å) | 63.81, 75.46, 121.20 | 49.71, 101.84, 113.55 |
| α, β, γ (°) | 90, 98.01, 90 | 99.38, 92.60, 103.45 |
| Resolution (Å) | 29.14-2.06 (2.13-2.06)a | 29.05-2.46 (2.55-2.46) |
| Rmerge | 0.176 (0.507) | 0.116 (0.852) |
| I / σI | 5.15 (2.64) | 8.14 (1.50) |
| CC1/2 | 0.99 (0.75) | 0.99 (0.66) |
| Completeness (%) | 0.80 (0.84) | 0.94 (0.67) |
| Redundancy | 5.7 (5.5) | 3.9 (3.7) |
| Refinement | ||
| Resolution (Å) | 29.14-2.06 | 29.05-2.46 |
| No. reflections | 56793 | 72567 |
| Rwork / Rfree | 0.176/0.201 | 0.202/0.222 |
| No. atoms (non-H) | ||
| Protein | 6623 | 13293 |
| Ligand/ion | 18 | 40 |
| Water | 594 | 78 |
| B factors | ||
| Protein | 38.9 | 67.5 |
| Ligand/ion | 19.5 | 35.7 |
| Water | 37.5 | 46.8 |
| r.m.s. deviations | ||
| Bond lengths (Å) | 0.007 | 0.005 |
| Bond angles (°) | 0.84 | 0.88 |
Values in parentheses are for highest-resolution shell.