3QUX
Structure of the mouse CD1d-alpha-C-GalCer-iNKT TCR complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-03 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.502, 189.919, 150.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.190 - 2.910 |
| R-factor | 0.21014 |
| Rwork | 0.208 |
| R-free | 0.25235 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 2Q7Y 3he6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.197 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.200 | 3.000 |
| High resolution limit [Å] | 2.910 | 2.910 |
| Rmerge | 0.131 | 0.572 |
| Number of reflections | 25140 | |
| <I/σ(I)> | 13 | 2.1 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 20% polyethylene glycol 3350, 8% tacsimate, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
