3VWJ
Ternary crystal structure of the human NKT TCR-CD1d-C20:2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 145.930, 176.910, 82.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.965 - 3.093 |
| R-factor | 0.2312 |
| Rwork | 0.228 |
| R-free | 0.29220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3huj |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.714 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 3.270 |
| High resolution limit [Å] | 3.093 | 9.800 | 3.100 |
| Number of reflections | 19938 | ||
| <I/σ(I)> | 4.8 | 6.8 | 2.1 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 12 | 10.7 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 295 | 8% PEG 10000, 0.2M magnesium chloride, 0.1M Tris, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
