6PUD
Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-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 | 2017-06-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 216.922, 69.974, 142.826 |
Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
Resolution | 47.940 - 1.800 |
R-factor | 0.1658 |
Rwork | 0.164 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.010 |
RMSD bond angle | 1.006 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.794 |
Rmeas | 0.092 | 0.908 |
Rpim | 0.044 | 0.436 |
Number of reflections | 190279 | 18769 |
<I/σ(I)> | 11.91 | 1.77 |
Completeness [%] | 99.0 | 98.34 |
Redundancy | 4.2 | 4.3 |
CC(1/2) | 0.998 |
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 |