9C42
Structure of human MR1-ellagic acid in complex with human MAIT A-F7 TCR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-08-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 215.810, 70.352, 143.434 |
| Unit cell angles | 90.00, 104.09, 90.00 |
Refinement procedure
| Resolution | 47.780 - 2.690 |
| R-factor | 0.1961 |
| Rwork | 0.194 |
| R-free | 0.24560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.158 |
| Data reduction software | XDS (BUILT=20220110) |
| Data scaling software | Aimless (0.2.1) |
| Phasing software | PHENIX (1.20.1-4487) |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.830 | 2.770 |
| High resolution limit [Å] | 2.690 | 2.700 |
| Rmerge | 0.181 | 1.168 |
| Rmeas | 0.200 | 1.320 |
| Rpim | 0.084 | 0.608 |
| Number of reflections | 57901 | 4476 |
| <I/σ(I)> | 7 | 1.5 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.3 | 4.7 |
| CC(1/2) | 0.989 | 0.599 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350, bis-tris propane, sodium acetate |
