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 |
