8B8X
Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.600, 85.540, 119.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.080 - 1.780 |
R-factor | 0.1762 |
Rwork | 0.174 |
R-free | 0.21620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal |
RMSD bond length | 0.021 |
RMSD bond angle | 2.011 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.080 | 1.880 |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 59406 | 10000 |
<I/σ(I)> | 18.44 | 2.38 |
Completeness [%] | 99.2 | 95.7 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350 20%, K/Na tartrate 0.2 M |