1ONQ
Crystal Structure of CD1a in Complex with a Sulfatide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2002-10-11 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.407, 42.711, 204.217 |
| Unit cell angles | 90.00, 90.78, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.150 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gzq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.500 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 * | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.067 * | 0.440 * |
| Number of reflections | 48912 | |
| <I/σ(I)> | 22.5 | 2.2 |
| Completeness [%] | 91.6 | 76.6 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 | 4 * | MPEG 2000, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K, pH 8.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | reservoir | PEG2000 MME | 18 (%) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.0-8.5 |
