5MKU
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-20 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.541870 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.650, 77.650, 81.241 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.417 - 1.780 |
| R-factor | 0.1494 |
| Rwork | 0.148 |
| R-free | 0.17720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ec9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.358 |
| Data reduction software | iMOSFLM (7.2.0) |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.420 | 25.420 | 1.820 |
| High resolution limit [Å] | 1.780 | 9.080 | 1.780 |
| Rmerge | 0.122 | 0.020 | 0.685 |
| Rmeas | 0.130 | ||
| Rpim | 0.044 | ||
| Total number of observations | 237809 | ||
| Number of reflections | 27516 | ||
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 99.6 | 96.1 | 94.1 |
| Redundancy | 8.6 | 6.4 | 4.7 |
| CC(1/2) | 0.997 | 0.999 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1M PIPES, pH 7.0, 0.1M NaCl, 22% PEG 2K MME |
