6PUL
Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU
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 | 2018-03-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953720 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 216.548, 70.029, 143.252 |
Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
Resolution | 49.490 - 1.840 |
R-factor | 0.1569 |
Rwork | 0.155 |
R-free | 0.18430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.008 |
RMSD bond angle | 0.933 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.490 | 1.910 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.775 | |
Number of reflections | 178381 | 17570 |
<I/σ(I)> | 15.2 | |
Completeness [%] | 98.8 | |
Redundancy | 4.1 | |
CC(1/2) | 0.049 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate |