3G08
Crystal structure of the alpha-galactosylceramide analog OCH in complex with mouse CD1d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.240, 107.097, 106.663 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.670 - 1.600 |
R-factor | 0.1958 |
Rwork | 0.195 |
R-free | 0.22639 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q7y |
RMSD bond length | 0.013 |
RMSD bond angle | 1.466 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.670 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.057 | 0.632 |
Number of reflections | 63903 | |
<I/σ(I)> | 29.7 | 2.6 |
Completeness [%] | 97.8 | 97.7 |
Redundancy | 5.8 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 16% polyethylene glycol 3350, 100mM Tris pH8.5, 2% tacsimate pH8.0 , VAPOR DIFFUSION, SITTING DROP, temperature 295K |