8AQM
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-01 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9799 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.060, 94.530, 114.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.080 - 2.300 |
R-factor | 0.1948 |
Rwork | 0.192 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal |
RMSD bond length | 0.010 |
RMSD bond angle | 1.394 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.080 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 30160 | 2000 |
<I/σ(I)> | 15.9 | 2.41 |
Completeness [%] | 99.6 | 97.6 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MES pH 6, 0.2M NH4Cl, 20% PEG6000 |