7UW2
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 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 | 2021-03-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 65.814, 65.814, 112.921 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.030 - 1.880 |
| R-factor | 0.2036 |
| Rwork | 0.203 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k4j |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.601 |
| 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] | 65.810 | 65.810 | 1.920 |
| High resolution limit [Å] | 1.880 | 9.020 | 1.880 |
| Rmerge | 0.056 | 0.050 | 0.652 |
| Rmeas | 0.058 | 0.052 | 0.674 |
| Rpim | 0.015 | 0.014 | 0.170 |
| Total number of observations | 303462 | 2698 | 20090 |
| Number of reflections | 20938 | 251 | 1311 |
| <I/σ(I)> | 26.5 | 46.3 | 5 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 14.5 | 10.7 | 15.3 |
| CC(1/2) | 0.999 | 0.999 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 100 mM Bis-Tris, pH 7.0, 8% PEG4000, 25% ethylene glycol. The drop contained 2 ul protein + 1 ul well solution |
