3TVM
Structure of the mouse CD1d-SMC124-iNKT TCR complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-14 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.970, 150.570, 101.960 |
Unit cell angles | 90.00, 96.35, 90.00 |
Refinement procedure
Resolution | 75.290 - 2.800 |
R-factor | 0.22647 |
Rwork | 0.224 |
R-free | 0.27272 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2Q7Y for CD1d 3HE6 for TCR |
RMSD bond length | 0.006 |
RMSD bond angle | 0.921 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.290 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.094 | 0.577 |
Number of reflections | 58305 | |
<I/σ(I)> | 10.9 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 100mM trisodium citrate pH5.6, 10% PEG3350, 2% tacsimate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |