5EC9
Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-07 |
Detector | RIGAKU |
Wavelength(s) | 1.5 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 68.252, 68.252, 106.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.930 - 2.300 |
R-factor | 0.1637 |
Rwork | 0.161 |
R-free | 0.21420 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.325 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.930 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.170 | |
Number of reflections | 11744 | |
<I/σ(I)> | 24.3 | 13.6 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 8 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 20% w/v PEG200 MME, 0.1M Tris pH8.0, 0.2M magnesium chloride |