Data collection and refinement statistics
| Data collection and refinement statistics | mCD1d–BbGL-2c–TCR | mCD1d–GalA-GSL–TCR |
| Data collection | ||
| Space group | C2221 | C2221 |
| Cell dimensions | ||
| a, b, c (Å) | 78.00, 188.37, 149.79 | 78.93, 191.24, 151.21 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
| Resolution range (Å) | 40.0–2.80 [2.90–2.80] | 50.0–2.74 [2.84–2.74] |
| Number of reflections | 27,545 | 29,275 |
| Rmerge (%) | 11.7 [64.1] | 10.4 [46.4] |
| Multiplicity | 7.3 [7.4] | 5.5 [5.5] |
| Average I/σI | 19.7 [3.0] | 15.3 [2.7] |
| Completeness (%) | 99.9 [99.9] | 95.9 [97.5] |
| Refinement | ||
| Number of atoms | 6,599 | 6,606 |
| Protein | 6,413 | 6,371 |
| Ligand | 53 | 48 |
| Carbohydrate | 80 | 80 |
| Waters | 53 | 107 |
| R/Rfree | 0.203/0.259 | 0.198/0.253 |
| Ramachandran plot | ||
| Favored (%) | 96.6 | 96.7 |
| Allowed (%) | 99.8 | 100.0 |
| RMSDs | ||
| Bonds (Å) | 0.008 | 0.012 |
| Angles (°) | 1.13 | 1.43 |
| B-factors | ||
| Protein (Å2) | 48.0 | 41.4 |
| Ligand (Å2) | 63.7 | 26.3 |
| Carbohydrate (Å2) | 68.5 | 56.1 |
| Waters (Å2) | 40.8 | 33.7 |
| Data collection and refinement statistics | mCD1d–BbGL-2c–TCR | mCD1d–GalA-GSL–TCR |
| Data collection | ||
| Space group | C2221 | C2221 |
| Cell dimensions | ||
| a, b, c (Å) | 78.00, 188.37, 149.79 | 78.93, 191.24, 151.21 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
| Resolution range (Å) | 40.0–2.80 [2.90–2.80] | 50.0–2.74 [2.84–2.74] |
| Number of reflections | 27,545 | 29,275 |
| Rmerge (%) | 11.7 [64.1] | 10.4 [46.4] |
| Multiplicity | 7.3 [7.4] | 5.5 [5.5] |
| Average I/σI | 19.7 [3.0] | 15.3 [2.7] |
| Completeness (%) | 99.9 [99.9] | 95.9 [97.5] |
| Refinement | ||
| Number of atoms | 6,599 | 6,606 |
| Protein | 6,413 | 6,371 |
| Ligand | 53 | 48 |
| Carbohydrate | 80 | 80 |
| Waters | 53 | 107 |
| R/Rfree | 0.203/0.259 | 0.198/0.253 |
| Ramachandran plot | ||
| Favored (%) | 96.6 | 96.7 |
| Allowed (%) | 99.8 | 100.0 |
| RMSDs | ||
| Bonds (Å) | 0.008 | 0.012 |
| Angles (°) | 1.13 | 1.43 |
| B-factors | ||
| Protein (Å2) | 48.0 | 41.4 |
| Ligand (Å2) | 63.7 | 26.3 |
| Carbohydrate (Å2) | 68.5 | 56.1 |
| Waters (Å2) | 40.8 | 33.7 |
Numbers in brackets refer to the highest resolution shell.