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 |