4MQ7
Structure of human CD1d-sulfatide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03316 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 40.959, 51.576, 210.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.873 - 2.603 |
| R-factor | 0.2237 |
| Rwork | 0.221 |
| R-free | 0.28410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ZT4 AND 3GMR |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.658 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 14040 | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 97.2 | 85.1 |
| Redundancy | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 292 | 28% PEG 4000, 0.2 M CaCl2, 0.1 M Tris pH 9.0, vapor diffusion, sitting drop, temperature 292K |
