5U1R
Structure of human MR1-diclofenac 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 | 2015-03-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 212.571, 69.650, 142.850 |
Unit cell angles | 90.00, 103.38, 90.00 |
Refinement procedure
Resolution | 48.995 - 2.700 |
R-factor | 0.1899 |
Rwork | 0.187 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.005 |
RMSD bond angle | 1.369 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.995 | 2.780 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.743 | |
Number of reflections | 55497 | |
<I/σ(I)> | 6.7 | |
Completeness [%] | 98.6 | 99.2 |
Redundancy | 2.8 | 2.8 |
CC(1/2) | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | BTP, PEG 3350, NaAc |