6CYW
Structure of sphingomyelin in complex with mouse CD1d
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.134, 105.256, 106.388 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.610 - 1.950 |
| R-factor | 0.2237 |
| Rwork | 0.223 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q7y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.112 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0104) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 4.810 | 1.950 |
| Rmerge | 0.104 | 0.057 | 0.512 |
| Rmeas | 0.119 | 0.066 | 0.584 |
| Rpim | 0.058 | 0.032 | 0.275 |
| Total number of observations | 144766 | ||
| Number of reflections | 34716 | 2547 | 1935 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 97.8 | 99 | 82.5 |
| Redundancy | 4.2 | 4 | 3.9 |
| CC(1/2) | 0.994 | 0.795 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 20% PEG3350, 8% Tacsimate, pH 4.0 |
