4F7C
Crystal structure of bovine CD1d with bound C12-di-sulfatide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 |
| Unit cell lengths | 168.553, 168.553, 41.525 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.748 - 2.864 |
| R-factor | 0.2247 |
| Rwork | 0.222 |
| R-free | 0.29090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l9r |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.523 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 168.553 | 3.000 |
| High resolution limit [Å] | 2.864 | 2.864 |
| Rmerge | 0.114 | 0.586 |
| Number of reflections | 27330 | |
| <I/σ(I)> | 17.9 | 3 |
| Completeness [%] | 99.3 | 98.4 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG3350, 200 mM sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
