5MK4
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 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 21 21 21 |
| Unit cell lengths | 71.699, 74.140, 99.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.389 - 2.000 |
| R-factor | 0.1737 |
| Rwork | 0.171 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ec9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.169 |
| Data reduction software | MOSFLM (7.2.1) |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 99.210 | 99.210 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.123 | 0.100 | 0.897 |
| Rmeas | 0.129 | 0.105 | 0.965 |
| Rpim | 0.038 | 0.032 | 0.344 |
| Total number of observations | 399571 | 4678 | 19080 |
| Number of reflections | 36452 | ||
| <I/σ(I)> | 13.1 | 28.4 | 2.2 |
| Completeness [%] | 99.9 | 99.9 | 99.1 |
| Redundancy | 11 | 9.6 | 7.3 |
| CC(1/2) | 0.997 | 0.995 | 0.655 |
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 |
