7B9O
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 65.529, 65.529, 110.178 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.340 - 2.050 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mku |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.298 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.340 | 46.340 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.060 | 0.041 | 0.906 |
| Rmeas | 0.063 | 0.043 | 0.960 |
| Rpim | 0.020 | 0.014 | 0.301 |
| Total number of observations | 1647 | 9708 | |
| Number of reflections | 15570 | 238 | 1191 |
| <I/σ(I)> | 13.1 | 36.5 | 1.6 |
| Completeness [%] | 99.2 | 96.1 | 99.9 |
| Redundancy | 8 | 6.9 | 8.2 |
| CC(1/2) | 0.999 | 0.999 | 0.863 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 24% PEG 4000 0.2M Ammonium acetate 0.1M Tris pH7.5 |
