3U0P
Crystal structure of human CD1d-lysophosphatidylcholine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-08-15 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.03322 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 108.609, 127.189, 332.641 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.032 - 2.800 |
| R-factor | 0.2149 |
| Rwork | 0.213 |
| R-free | 0.25910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.811 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.124 | 0.055 | 0.748 |
| Number of reflections | 55792 | ||
| <I/σ(I)> | 6.6 | ||
| Completeness [%] | 97.5 | 97.3 | 78.1 |
| Redundancy | 3.9 | 4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Tris-HCl, 2.0 M Ammonium Sulfate, 0.03 M glycyl-glycyl-glycine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
