6PUM
Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU
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 | 2018-10-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95365 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 218.055, 70.242, 144.022 |
Unit cell angles | 90.00, 104.57, 90.00 |
Refinement procedure
Resolution | 48.320 - 1.960 |
R-factor | 0.1557 |
Rwork | 0.154 |
R-free | 0.18960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.010 |
RMSD bond angle | 1.037 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.320 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Number of reflections | 150402 | 14877 |
<I/σ(I)> | 9.11 | |
Completeness [%] | 99.2 | |
Redundancy | 3.7 | |
CC(1/2) | 0.995 | 0.665 |
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 |