7UFJ
Structure of human MR1-ethylvanillin 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 | 2021-02-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 217.936, 70.888, 144.387 |
Unit cell angles | 90.00, 104.86, 90.00 |
Refinement procedure
Resolution | 48.430 - 2.500 |
R-factor | 0.1833 |
Rwork | 0.180 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u2v |
RMSD bond length | 0.008 |
RMSD bond angle | 0.999 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.18.2_3874) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.430 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.059 | 0.445 |
Rmeas | 0.084 | 0.630 |
Rpim | 0.059 | 0.445 |
Number of reflections | 73277 | 7243 |
<I/σ(I)> | 9.24 | 2.03 |
Completeness [%] | 98.8 | |
Redundancy | 2 | |
CC(1/2) | 0.995 | 0.679 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | BTP PEG 3350 NaAc |