7BYD
Crystal structure of SN45 TCR in complex with 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 | CCD |
| Collection date | 2019-12-07 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.937, 95.071, 123.352 |
| Unit cell angles | 90.00, 90.89, 90.00 |
Refinement procedure
| Resolution | 41.963 - 2.800 |
| R-factor | 0.188415640165 |
| Rwork | 0.185 |
| R-free | 0.24963 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6iwg 2nw2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.459 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.098 | 0.492 |
| Number of reflections | 48069 | 7672 |
| <I/σ(I)> | 12.02 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M sodium iodide, 0.1 M Bis-Tris-propane pH 6.5 and 20% PEG3350 |
