7B88
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 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 | 2019-02-01 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.054, 64.054, 110.067 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.290 - 2.380 |
R-factor | 0.2015 |
Rwork | 0.199 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sjm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.137 |
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] | 45.290 | 45.290 | 2.510 |
High resolution limit [Å] | 2.380 | 7.530 | 2.380 |
Rmerge | 0.067 | 0.045 | 0.933 |
Rmeas | 0.074 | 0.049 | 1.061 |
Rpim | 0.026 | 0.018 | 0.365 |
Number of reflections | 9753 | 376 | 1368 |
<I/σ(I)> | 12.7 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 7.9 | 6.5 | 8.3 |
CC(1/2) | 0.999 | 0.999 | 0.733 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 21% PEG 3350, 0.1 M Ammomium Acetate, 0.1 M tris 7.5 |