6PUJ
Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U
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 | 2017-07-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953736 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 218.607, 70.776, 143.802 |
Unit cell angles | 90.00, 104.56, 90.00 |
Refinement procedure
Resolution | 45.770 - 1.920 |
R-factor | 0.1641 |
Rwork | 0.163 |
R-free | 0.19360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.005 |
RMSD bond angle | 0.723 |
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] | 45.770 | 1.990 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 162028 | 16074 |
<I/σ(I)> | 15.88 | |
Completeness [%] | 99.6 | |
Redundancy | 3.5 | |
CC(1/2) | 0.999 | 0.781 |
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 |