5U6Q
Structure of human MR1-3-F-SA in complex with human MAIT A-F7 TCR
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 | CCD |
Collection date | 2014-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 217.668, 70.510, 143.370 |
Unit cell angles | 90.00, 104.77, 90.00 |
Refinement procedure
Resolution | 44.386 - 1.900 |
R-factor | 0.1838 |
Rwork | 0.182 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.009 |
RMSD bond angle | 1.188 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.386 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.086 | 0.746 |
Rmeas | 0.097 | |
Rpim | 0.045 | |
Total number of observations | 722223 | |
Number of reflections | 161424 | |
<I/σ(I)> | 11.1 | |
Completeness [%] | 97.6 | 94.2 |
Redundancy | 4.5 | 4.6 |
CC(1/2) | 0.997 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | BTP, PEG 3350, NaAc |