4APQ
Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-sulfatide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 95.110, 95.110, 291.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.490 - 3.000 |
| R-factor | 0.1802 |
| Rwork | 0.177 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3scm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.600 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.050 | 0.430 |
| Number of reflections | 27729 | |
| <I/σ(I)> | 11.5 | 2.3 |
| Completeness [%] | 99.6 | 98.1 |
| Redundancy | 8.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 0.2M SODIUM CITRATE PH 6.2, 15% PEG 6000 |
