Table 2.
Data collection and refinement statistics
| HLA-A∗02:01-N138-146 | HLA-A∗02:01-N159-167 | HLA-A∗02:01-N222-230 | HLA-A∗02:01-N226-234 | HLA-A∗02:01-N316-324 | HLA-A∗02:01-N351-359 | |
|---|---|---|---|---|---|---|
| Data collection statistics | ||||||
| Space group | P212121 | P21 | P212121 | P212121 | P212121 | P212121 |
| Cell dimensions (a,b,c) (Å) | 60.03, 78.90, 110.60 | 53.33, 80.54, 57.06, β = 113.47° | 60.16, 79.71, 111.47 | 60.29, 79.68, 111.12 | 60.19, 79.55, 111.58 | 59.79, 78.25, 111.51 |
| Resolution (Å) | 47.77–1.58 (1.61–1.58) | 48.92–1.55 (1.58–1.55) | 48.02–1.34 (1.36–1.3.4) | 48.08–1.90 (1.94–1.90) | 48.00–1.40 (1.42–1.40) | 47.51–2.15 (2.22–2.15) |
| Total number of observations | 677855 (33071) | 442231 (22524) | 1621917 (76338) | 289860 (42802) | 1421661 (58020) | 226686 (29202) |
| Nb of unique obs | 72687 (3502) | 63881 (3135) | 120760 (5789) | 17771 (27004) | 106332 (4607) | 20120 (2485) |
| Multiplicity | 9.3 (9.4) | 6.9 (7.2) | 13.4 (13.2) | 6.8 (6.6) | 13.4 (12.6) | 7.8 (8.1) |
| Data completeness (%) | 100 (100) | 99.6 (99.1) | 99.9 (97.5) | 99.7 (99.0) | 99.4 (88.4) | 100 (100) |
| I/σI | 16.1 (1.9) | 17.5 (1.7) | 17.1 (2.0) | 10.1 (2.3) | 19.3 (2.1) | 10.5 (1.7) |
| Rpima (%) | 2.8 (43.0) | 2.0 (46.4) | 2.3 (40.7) | 5.7 (55.8) | 1.8 (38.5) | 5.6 (48.8) |
| CC1/2 (%) | 99.9 (67.6) | 99.9 (72.8) | 99.9 (67.4) | 99.5 (75.8) | 99.9 (69.7) | 99.7 (60.8) |
| Refinement statistics | ||||||
| Rfactorb (%) | 17.4 | 19.8 | 17.9 | 16.9 | 19.4 | 18.3 |
| Rfreeb (%) | 19.7 | 22.1 | 19.8 | 20.5 | 20.3 | 22.9 |
| rmsd from ideality | ||||||
| Bond lengths (Å) | 0.010 | 0.010 | 0.010 | 0.009 | 0.008 | 0.008 |
| Bond angles (°) | 1.02 | 1.02 | 1.04 | 1.18 | 0.94 | 1.10 |
| Ramachandran plot (%) | ||||||
| Favoured | 99.3 | 99 | 100 | 98 | 98.5 | 98 |
| Allowed | 0.7 | 1 | 0 | 2 | 1.5 | 2 |
| Disallowed | 0 | 0 | 0 | 0 | 0 | 0 |
| PBD code | 7KGS | 7KGR | 7KGQ | 7KGT | 7KGP | 7KGO |
a
Rp.i.m = Σhkl [1/(N-1)]1/2 Σi | Ihkl, i - <Ihkl> | / Σhkl <Ihkl>.
b
Rfactor = Σhkl | | Fo | - | Fc | | / Σhkl | Fo | for all data except ≈ 5%, which were used for Rfree calculation. Values in parentheses are for the highest resolution shell.