5U72
Structure of human MR1-5OH-DCF 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 | 2015-06-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 213.090, 69.600, 142.370 |
Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
Resolution | 36.815 - 2.500 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.23050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.006 |
RMSD bond angle | 0.971 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.9) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.815 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.076 | 0.462 |
Rmeas | 0.088 | |
Rpim | 0.044 | |
Total number of observations | 273724 | |
Number of reflections | 69625 | |
<I/σ(I)> | 12.3 | |
Completeness [%] | 98.9 | 97.8 |
Redundancy | 3.9 | 3.4 |
CC(1/2) | 0.997 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | BTP, PEG 3350, NaAc |