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 |