2P1U
Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-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 | 67.638, 67.638, 109.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.200 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mvc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.114 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.600 | 36.670 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.072 | 0.044 | 0.229 |
Total number of observations | 4481 | 24960 | |
Number of reflections | 13588 | ||
<I/σ(I)> | 7.3 | 9.1 | 3.1 |
Completeness [%] | 99.8 | 94.3 | 100 |
Redundancy | 12.3 | 9.3 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 14% PEG 10000, 0.1M Tris, 1M ammonium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |