9BTY
Structure of human MAIT A-F7 TCR in complex with human MR1-veratraldehyde
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 | 2017-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 216.843, 70.281, 143.207 |
Unit cell angles | 90.00, 104.12, 90.00 |
Refinement procedure
Resolution | 39.910 - 2.850 |
R-factor | 0.1635 |
Rwork | 0.161 |
R-free | 0.22330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.966 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.910 | 2.955 |
High resolution limit [Å] | 2.850 | 2.853 |
Rmerge | 0.124 | |
Number of reflections | 222966 | 20545 |
<I/σ(I)> | 11.65 | |
Completeness [%] | 98.4 | |
Redundancy | 4.6 | |
CC(1/2) | 0.995 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | PEG 3350, Na acetate, BTP |