Table 3.
X-ray diffraction data processing and refinement statistics
| Parametera | Value(s) for HLA-A*0201/V60b |
|---|---|
| Data processing statistics | |
| Space group | P21 |
| Cell parameters | |
| a (Å) | 83.86 |
| b (Å) | 58.55 |
| c (Å) | 89.58 |
| α (°) | 90.00 |
| β (°) | 109.86 |
| γ (°) | 90.00 |
| Resolution range (Å) | 50.00–2.00 (2.07–2.00) |
| No. of total reflections | 54,699 (5,011) |
| No. of unique reflections | 14,025 (1,474) |
| Completeness (%) | 97.9 (90.8) |
| Rmerge (%) | 12.5 (34.0) |
| I/σ | 11.0 (3.2) |
| Refinement statistics | |
| Rwork (%) | 23.8 |
| Rfree (%) | 28.5 |
| RMSD | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 0.912 |
a
Rmerge = Σ|I − 〈I〉|/ΣI × 100, where I is the intensity of a reflection and 〈I〉 is the average intensity; Rfree is calculated for a randomly chosen 5% of reflections and Rwork is calculated for the remaining 95% of reflections used for structure refinement. RMSD, root mean square deviation.
b
Values in parentheses are for the highest-resolution shell.