8Y6X
Crystal structure of ternary complex of human MR1, ligand #4, and MAIT-TCR A-F7
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2023-05-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 |
| Unit cell lengths | 125.494, 125.494, 115.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.250 - 3.400 |
| R-factor | 0.1779 |
| Rwork | 0.176 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.553 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.300 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rpim | 0.091 | 0.508 |
| Number of reflections | 24734 | 2439 |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.990 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 0.1M Tris (pH 8.2), 20mM Magnesium chloride, 22% (v/v) polyacrylic acid sodium salt 5,100 |
