5MKJ
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 9 and a fragment of the TIF2 co-activator.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0331 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.139, 64.139, 111.979 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.353 - 2.500 |
| R-factor | 0.1977 |
| Rwork | 0.193 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ec9 |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.367 |
| Data reduction software | iMOSFLM (7.2.1) |
| 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] | 64.140 | 64.140 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
| Rmerge | 0.167 | 0.077 | 0.976 |
| Rmeas | 0.173 | ||
| Rpim | 0.045 | ||
| Total number of observations | 128885 | ||
| Number of reflections | 8650 | ||
| <I/σ(I)> | 12 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 14.9 | 11.7 | 15.9 |
| CC(1/2) | 0.997 | 0.997 | 0.788 |
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 |
