8FKF
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.765, 61.765, 161.084 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.150 - 1.820 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.033 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.150 | 1.890 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.056 | 0.461 |
Number of reflections | 28621 | 2792 |
<I/σ(I)> | 39.82 | 6.35 |
Completeness [%] | 99.8 | 99.64 |
Redundancy | 25.1 | 26.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000 |