1MZN
CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF 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 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.119, 64.694, 94.784 |
| Unit cell angles | 109.97, 92.87, 89.99 |
Refinement procedure
| Resolution | 30.000 - 2.000 * |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB id 1FBY |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.167 * |
| 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] | 2.000 * | 2.000 * |
| Rmerge | 0.063 | 0.124 * |
| Total number of observations | 194870 * | |
| Number of reflections | 79918 * | |
| <I/σ(I)> | 15.6 | 7.9 |
| Completeness [%] | 95.9 * | 96.6 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | PEG 4000, NaCl, Pipes, BisTris, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
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 (%) |
