3QDJ
The complex between TCR DMF5 and human Class I MHC HLA-A2 with the bound MART-1(27-35) nonameric peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-25 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 227.774, 46.305, 85.859 |
Unit cell angles | 90.00, 106.55, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.2435 |
Rwork | 0.240 |
R-free | 0.29910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gj6 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.562 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.180 | 2.300 |
Rmerge | 0.071 | 0.048 | 0.410 |
Number of reflections | 37500 | ||
<I/σ(I)> | 19.1 | ||
Completeness [%] | 97.0 | 94.6 | 81.5 |
Redundancy | 3.6 | 3.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 297 | PEG 24%, TRIS 0.1M, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |