4IRJ
Structure of the mouse CD1d-4ClPhC-alpha-GalCer-iNKT TCR complex
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-01 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9795706 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.283, 191.862, 151.598 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.350 - 3.000 |
R-factor | 0.18808 |
Rwork | 0.186 |
R-free | 0.22844 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.189 |
Refinement software | REFMAC (5.6.0104) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 21794 | |
Completeness [%] | 98.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.5 | 20% polyethylene glycol 4000, 0.2M sodium thiocyanate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.5K |