9WNT
Crystal structure of SN45 TCR in complex with C14-Gly-Gly-Ser-Ile lipopeptide-bound Mamu-B*05104
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.084, 94.625, 123.049 |
| Unit cell angles | 90.00, 90.47, 90.00 |
Refinement procedure
| Resolution | 49.460 - 2.700 |
| R-factor | 0.2075 |
| Rwork | 0.204 |
| R-free | 0.27420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.102 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (2.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.860 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.095 | 0.865 |
| Number of reflections | 52928 | 8124 |
| <I/σ(I)> | 13.9 | 1.48 |
| Completeness [%] | 99.0 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.997 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 0.2M sodium iodide, 0.1M Bis-Tris-propane, pH 6.25, 17.5% PEG 3350 |
