Table 1.
X-ray data processing and model refinement information
| Parameter | Protein crystallographic details | |||
| Data processing | ||||
| Protein content | c728 TCR | c728 TCR and HLA-A*02:01/MAGEA10-GVY-9 | c796 TCR and HLA-A*02:01/MAGEA10-GVY-9 | c756 TCR and HLA-A*02:01/MAGEA10-GVY-9 |
| Space group | P1 | P1 | P21 | P21 |
| Unit cell parameters: | ||||
| Lengths a, b, c (Å) | 54.9, 59.2, 86.0 | 54.1, 95.8, 106.3 | 54.3, 77.5, 115.1 | 54.2, 77.4, 116.7 |
| Angles α, β, λ (°) | 101.9, 105.9, 104.7 | 109.2, 96.5, 99.7 | 90.00, 102.9, 90.0 | 90.0, 102.7, 90.0 |
| Resolution range (Å) | 79.0–2.27 | 81.9–1.82 | 77.5–2.04 | 77.5–1.54 |
| No. of unique reflections | 38 348 | 158 062 | 59 081 | 134 415 |
| I/σ(I) | 4.3 (2.3) | 4.7 (0.7) | 5.7 (1.6) | 6.4 (1.0) |
| Rmeas | 16.6 (29.7) | 13.9 (95.0) | 14.5 (90.4) | 10.5 (138.1) |
| Multiplicity | 1.5 (1.5) | 1.5 (1.4) | 2.9 (2.8) | 3.2 (3.1) |
| CC1/2 | 0.957 (0.898) | 0.986 (0.464) | 0.988 (0.728) | 0.995 (0.331) |
| Completeness (%) | 86.2 (84.5) | 90.2 (87.5) | 99.3 (98.7) | 96.9 (95.8) |
| Model details and refinement statistics | ||||
| Rwork (%) | 19.2 (25.5) | 20.2 (33.6) | 18.6 (29.3) | 20.2 (33.9) |
| Rfree (%) | 25.2 (31.9) | 22.9 (33.4) | 23.6 (30.9) | 23.6 (32.1) |
| No. of atoms | 7061 | 13 735 | 6829 | 7098 |
| No. of waters | 299 | 637 | 349 | 528 |
| No. of copies in asymmetric unit | 2 | 2 | 1 | 1 |
| Ramachandran plot (%) | ||||
| Favored regions | 96.9 | 97.4 | 96.3 | 97.5 |
| Allowed regions | 3.1 | 2.6 | 3.7 | 2.4 |
| Outliers | 0 | 0 | 0 | 0.1 |
HLA, human leucocyte antigen; TCR, T-cell receptor.