3HE7
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta7 NKT TCR
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 | 2008-09-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.95667 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.229, 81.913, 243.253 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.22614 |
| Rwork | 0.224 |
| R-free | 0.27117 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3he6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.029 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.132 | 0.707 |
| Number of reflections | 29526 | |
| <I/σ(I)> | 13.7 | 2.2 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 17% polyethylene glycol 10K, 0.1M ammonium acetate, 0.1M Bis Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
