5LYQ
Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-08-05 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54178 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.632, 64.632, 113.207 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.582 - 2.170 |
R-factor | 0.2138 |
Rwork | 0.212 |
R-free | 0.25290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oc7 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.560 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.700 | 45.700 | 2.240 |
High resolution limit [Å] | 2.170 | 8.950 | 2.170 |
Rmerge | 0.097 | 0.019 | 0.892 |
Rmeas | 0.102 | 0.020 | 0.978 |
Rpim | 0.031 | 0.007 | 0.392 |
Total number of observations | 136161 | 1822 | 6391 |
Number of reflections | 13334 | ||
<I/σ(I)> | 22.3 | 79.2 | 2.1 |
Completeness [%] | 99.9 | 98.8 | 99 |
Redundancy | 10.2 | 7.5 | 5.8 |
CC(1/2) | 0.999 | 1.000 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1 M MIB buffer pH 8, 25% (w/v) PEG 1500 |