3SDC
Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-globotrihexosylceramide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 213 |
| Detector technology | CCD |
| Collection date | 2011-03-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 94.350, 94.350, 287.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.720 - 3.100 |
| R-factor | 0.2429 |
| Rwork | 0.240 |
| R-free | 0.29210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.209 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.657 | 66.716 | 3.270 |
| High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
| Rmerge | 0.010 | 0.010 | |
| Rmeas | 0.084 | 1.124 | |
| Rpim | 0.034 | 0.447 | |
| Total number of observations | 5071 | 20743 | |
| Number of reflections | 23961 | ||
| <I/σ(I)> | 6.9 | 19.9 | 1.7 |
| Completeness [%] | 98.4 | 96.1 | 99.1 |
| Redundancy | 5.6 | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 13.5% PEG 6000, 0.1M Sodium citrate, pH 6.1, vapor diffusion, hanging drop, temperature 293K |
