Table 1.
Data collection and structure refinement statistics
| F50–GIL–HLA-A2 | |
|---|---|
| Data collection | |
| Space group | P1211 |
| Cell dimensions | |
| a (Å) | 66.3 |
| b (Å) | 71.1 |
| c (Å) | 100.7 |
| α, β, γ (°) | 90, 96.2, 90 |
| Resolution range (Å)a | 37.9–1.70 (1.76–1.70) |
| Unique reflectionsa | 100,320 (9,832) |
| Rmergea,b | 0.055 (0.647) |
| Mean I/σ(I) a | 7.52 (1.2) |
| Completeness (%)a | 98.1 (96.6) |
| Refinement | |
| Resolution range (Å)a | 37.9–1.70 |
| Rwork (%)/Rfree (%)a,c | 19.1 (28.9)/21.3 (28.0) |
| No. of protein atoms | 6,662 |
| No. of water molecules | 808 |
| Root mean square deviation from ideality | |
| Bond lengths (Å) | 0.013 |
| Bond angles (°) | 1.18 |
| Ramachandran statistics (%) | |
| Most favored | 98.0 |
| Allowed | 2.0 |
| Disallowed | 0.0 |
a The values in parentheses are statistics for the highest resolution shell.
b Rmerge = Σ|Ij − <I> |/ΣIj, where Ij is the intensity of an individual reflection, and <I> is the average intensity of that reflection.
c Rwork = Σ||Fo| − |Fc||/Σ|Fo|, where Fc is the calculated structure factor. Rfree is as for Rwork but calculated for a randomly selected 5.0% of reflections not included in the refinement.