6D78
The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 226.900, 44.086, 83.219 |
Unit cell angles | 90.00, 106.43, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.347 |
Rwork | 0.204 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l3e |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.431 |
High resolution limit [Å] | 2.347 | 2.347 |
Number of reflections | 33491 | 6397 |
<I/σ(I)> | 11.04 | |
Completeness [%] | 99.5 | |
Redundancy | 2 | |
CC(1/2) | 0.998 | 0.856 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M Tris, 12% PEG6000, 0.2 M magnesium chloride |