8FHG
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
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 | 2019-04-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.054, 61.054, 159.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.950 - 1.800 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.869 |
Data reduction software | DIALS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.950 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.020 | 0.162 |
Rmeas | 0.029 | 0.229 |
Rpim | 0.020 | 0.162 |
Number of reflections | 28829 | 2799 |
<I/σ(I)> | 19.45 | 3.89 |
Completeness [%] | 99.9 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.928 |
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 |