7UW4
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 65.802, 65.802, 112.439 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.840 - 2.100 |
| R-factor | 0.2242 |
| Rwork | 0.223 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k4j |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.608 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.800 | 65.800 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.075 | 0.052 | 1.014 |
| Rmeas | 0.078 | 0.054 | 1.049 |
| Rpim | 0.021 | 0.015 | 0.267 |
| Total number of observations | 215183 | 2972 | 18101 |
| Number of reflections | 15104 | 263 | 1198 |
| <I/σ(I)> | 17.3 | 42.5 | 2.6 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 14.2 | 11.3 | 15.1 |
| CC(1/2) | 0.999 | 0.999 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 100 mM Bis-Tris, pH 7.0, 7% PEG4000, 5% ethylene glycol |
