1MVC
Crystal structure of the human RXR alpha ligand binding domain bound to the synthetic agonist compound BMS 649 and a coactivator peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.511, 64.511, 111.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB id 1FBY |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.165 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.076 * | 0.093 * |
| Total number of observations | 81070 * | |
| Number of reflections | 19091 * | |
| <I/σ(I)> | 18.4 | 9.3 |
| Completeness [%] | 98.7 | 93.5 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | PEG 4000, NaCl, Glycerol, BisTris, Pipes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PIPES | 100 (mM) | pH7.0 |
| 2 | 1 | reservoir | PEG4000 | 5-20 (%) | |
| 3 | 1 | reservoir | glycerol | 5-20 (%) |
