3D3V
The complex between TCR A6 and human Class I MHC HLA-A2 with the modified HTLV-1 TAX (Y5(3,4-difluoroPhenylalanine)) peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-21 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 224.450, 48.537, 93.794 |
Unit cell angles | 90.00, 90.61, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
Rwork | 0.220 |
R-free | 0.27787 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qse |
RMSD bond length | 0.015 |
RMSD bond angle | 1.749 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.970 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.065 | 0.410 |
Number of reflections | 25084 | |
<I/σ(I)> | 26.9 | 2.2 |
Completeness [%] | 99.6 | 96.9 |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 297 | TRIS 0.1 M, PEG4000 15%, MgCl2 0.2M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |