6PUI
Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U
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 | 2016-04-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 216.370, 70.050, 142.620 |
Unit cell angles | 90.00, 104.16, 90.00 |
Refinement procedure
Resolution | 52.160 - 1.960 |
R-factor | 0.1592 |
Rwork | 0.157 |
R-free | 0.19990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.008 |
RMSD bond angle | 0.929 |
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] | 52.160 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Number of reflections | 148778 | 14738 |
<I/σ(I)> | 47.27 | |
Completeness [%] | 99.8 | |
Redundancy | 11.1 | |
CC(1/2) | 0.758 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate |