3T8X
Crystal structure of human CD1b in complex with synthetic antigenic diacylsulfoglycolipid SGL12 and endogenous spacer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 203.250, 67.580, 88.190 |
| Unit cell angles | 90.00, 112.26, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.16719 |
| Rwork | 0.165 |
| R-free | 0.21075 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h26 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.183 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.540 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 81026 | |
| <I/σ(I)> | 11.2 | 1.8 |
| Completeness [%] | 92.9 | 71.1 |
| Redundancy | 2.9 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 1.9 M Ammonium sulfate, 0.2 M Ammonium acetate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
