2P1T
Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
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 |
| Collection date | 2007-02-15 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.150, 64.150, 112.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.800 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mvc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.147 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.500 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 22530 | |
| <I/σ(I)> | 8.3 | 2.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 12.1 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 16% PEG 3350, 0.1M Tris, 1M ammonium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
