3ARE
Ternary crystal structure of the mouse NKT TCR-CD1d-4'deoxy-alpha-galactosylceramide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95376 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.584, 86.259, 236.099 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.460 - 2.800 |
| R-factor | 0.22268 |
| Rwork | 0.220 |
| R-free | 0.27906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.897 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.195 | 0.062 | 0.887 |
| Number of reflections | 28434 | ||
| <I/σ(I)> | 9.7 | 27.2 | 2 |
| Completeness [%] | 93.3 | 98.9 | 91 |
| Redundancy | 7.1 | 6.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 20% PEG 400, 0.1M Ammonium acetate, 0.1M Bis Tris, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
