3QEQ
The complex between TCR DMF4 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 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.651, 73.663, 225.292 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.590 |
R-factor | 0.218 |
Rwork | 0.215 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gj6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.589 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.640 |
High resolution limit [Å] | 2.590 | 6.960 | 2.590 |
Rmerge | 0.080 | 0.046 | 0.284 |
Number of reflections | 31613 | ||
<I/σ(I)> | 25.8 | ||
Completeness [%] | 99.6 | 99.8 | 98.8 |
Redundancy | 6.6 | 6.3 | 6.1 |
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 |