4PRP
Crystal structure of TK3 TCR-HLA-B*35:01-HPVG-Q5 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.984 |
Spacegroup name | P 1 |
Unit cell lengths | 45.143, 62.599, 97.812 |
Unit cell angles | 92.04, 102.53, 109.70 |
Refinement procedure
Resolution | 47.360 - 2.500 |
R-factor | 0.1829 |
Rwork | 0.180 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vm7 |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 94.812 | 47.359 | 2.640 |
High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
Rmerge | 0.044 | 0.490 | |
Total number of observations | 3281 | 18871 | |
Number of reflections | 32843 | ||
<I/σ(I)> | 11.9 | 15 | 1.4 |
Completeness [%] | 97.2 | 85 | 98 |
Redundancy | 3.8 | 3.6 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 298 | 18% PEG 3350, 0.2M LiSO4 and 0.1M Na-Citrate, pH 5.6, VAPOR DIFFUSION, temperature 298K |