3SCM
Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-isoglobotrihexosylceramide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2011-03-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.47 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 94.523, 94.523, 289.613 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.860 - 2.500 |
| R-factor | 0.2749 |
| Rwork | 0.273 |
| R-free | 0.31830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.398 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 94.520 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.159 |
| Number of reflections | 45523 |
| <I/σ(I)> | 6.5 |
| Completeness [%] | 100.0 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 0.1M Sodium citrate, 14% PEG 6000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
