4QRR
Crystal Structure of HLA B*3501-IPS in complex with a Delta-Beta TCR, clone 12 TCR
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 | 2013-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.956, 192.149, 162.625 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.950 - 3.000 |
| R-factor | 0.2126 |
| Rwork | 0.210 |
| R-free | 0.25810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4flh pdb entry 3kln |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.950 |
| High resolution limit [Å] | 3.000 |
| Number of reflections | 22376 |
| Completeness [%] | 95.1 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.3 M KCN, 24% PEG 3350, 2% EG, 10 mM spermidine, 10 mM L-Proline, pH 8, vapor diffusion, hanging drop, temperature 277K |
