2P1V
Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.148, 64.148, 113.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.400 - 2.200 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mvc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.199 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.400 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.094 | 0.235 |
| Total number of observations | 16418 | |
| Number of reflections | 11503 | |
| <I/σ(I)> | 5.7 | 2.9 |
| Completeness [%] | 91.6 | 87.1 |
| Redundancy | 10.2 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 24% PEG 4000, 0.1M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
