Table 1 Data collection and refinement statistics.
HLA-A*11:01-SSCSSCPLSKa (PDB Code: 5GRD) | HLA-A*11:01-SSCPLSKa (PDB Code: 5GSD) | HLA-A*11:01-SSCSSC + SSCPLSKa (PDB Code: 5GRG) | |
|---|---|---|---|
Data collection | |||
Space group | P212121 | P212121 | P212121 |
Cell dimensions | |||
a, b, c (Å) | 54.42, 67.80, 115.30 | 55.35, 67.65, 115.60 | 55.25, 67.43, 115.02 |
a, b, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 23.84–1.80 (1.86–1.80)b | 58.38–2.30 (2.40–2.30) | 58.17–1.94 (2.01–1.94) |
Rmerge (%) | 3.8 (14.9) | 10.9 (72.2) | 5.7 (37.4) |
I/sI | 24.50 (6.85) | 12.68 (2.07) | 14.20 (2.50) |
Completeness (%) | 96.7 (96.6) | 99.7 (100.0) | 99.7 (99.9) |
Redundancy | 3.0 (3.0) | 6.9 (4.7) | 4.5 (4.6) |
Refinement | |||
Resolution (Å) | 58.44–1.80 (1.86–1.80) | 39.98–2.30 (2.40–2.30) | 30.00–1.94 (2.01–1.94) |
No. reflections | 38, 953 | 19, 869 | 30, 594 |
Rwork/ Rfree | 17.6/22.6 | 19.5/27.3 | 18.9/24.3 |
No. atoms | |||
Protein | 3112 | 3081 | 3073 |
Peptide | 67 | 48 | 67 |
Glycerol | 12 | 30 | 24 |
Water | 413 | 258 | 256 |
B-factors (Å2) | |||
Protein | 23.1 | 31.0 | 37.2 |
Peptide | 18.8 | 49.8 | 58.5 |
Glycerol | 38.4 | 46.8 | 49.5 |
Water | 31.8 | 43.8 | 43.9 |
r.m.s.d. | |||
Bond lengths (Å) | 0.019 | 0.015 | 0.017 |
Bond angles (°) | 1.89 | 1.69 | 1.78 |
