7R7Z
Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3
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 | 2015-12-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.156, 59.381, 82.675 |
Unit cell angles | 90.00, 90.49, 90.00 |
Refinement procedure
Resolution | 41.336 - 2.286 |
R-factor | 0.2165 |
Rwork | 0.214 |
R-free | 0.25240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oga |
RMSD bond length | 0.002 |
RMSD bond angle | 0.530 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.280 | 4.950 | 2.300 |
Rmerge | 0.149 | 0.061 | 0.866 |
Rmeas | 0.165 | 0.068 | 1.035 |
Rpim | 0.070 | 0.029 | 0.555 |
Number of reflections | 18393 | 1918 | 1683 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 98.1 | 99.1 | 90.2 |
Redundancy | 5.1 | 5.4 | 2.6 |
CC(1/2) | 0.993 | 0.490 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 1.0 M lithium sulfate, 0.5 M ammonium sulfate, 0.1 M sodium citrate/citric acid, pH 5.6 |