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 |