1H9U
The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | QUANTUM |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.886, 106.882, 100.587 |
| Unit cell angles | 90.00, 122.56, 90.00 |
Refinement procedure
| Resolution | 38.140 - 2.700 |
| R-factor | 0.277 * |
| Rwork | 0.273 |
| R-free | 0.30100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1LBD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 19.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | |
| High resolution limit [Å] | 2.700 | 2.700 * |
| Rmerge | 0.098 | 0.264 * |
| Total number of observations | 87647 * | |
| Number of reflections | 29713 | |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 97.8 * | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.6 | 20 * | pH 7.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 1.0 (mM) | |
| 4 | 1 | drop | Triton X-100 | 0.125 (%(v/v)) | |
| 5 | 1 | drop | protein | 7.4 (mg/ml) | |
| 6 | 1 | reservoir | ammonium formate | 1.4 (M) | pH7.6 |
