4LCC
Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to humanized bovine MR1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03318 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.902, 88.585, 155.505 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.316 - 3.263 |
R-factor | 0.2597 |
Rwork | 0.257 |
R-free | 0.31240 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.040 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.360 |
High resolution limit [Å] | 3.263 | 3.263 |
Rmerge | 0.425 | |
Number of reflections | 18509 | |
<I/σ(I)> | 12.8 | 3.92 |
Completeness [%] | 97.0 | 78.3 |
Redundancy | 4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M Hepes, 1.5 M Ammonium Sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |