6PUE
Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 218.216, 71.067, 144.293 |
Unit cell angles | 90.00, 104.77, 90.00 |
Refinement procedure
Resolution | 45.640 - 1.900 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.23170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.007 |
RMSD bond angle | 0.880 |
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] | 45.640 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.529 |
Rmeas | 0.085 | 0.594 |
Rpim | 0.038 | 0.268 |
Number of reflections | 168076 | 11960 |
<I/σ(I)> | 12.7 | 2.92 |
Completeness [%] | 96.8 | |
Redundancy | 4.8 | |
CC(1/2) | 0.998 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate |