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 |
