8FHF
Crystal structure of PPARgamma ligand-binding domain in complex with 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 | C 1 2 1 |
Unit cell lengths | 91.635, 60.695, 117.076 |
Unit cell angles | 90.00, 102.51, 90.00 |
Refinement procedure
Resolution | 38.890 - 2.100 |
R-factor | 0.2358 |
Rwork | 0.233 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.008 |
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] | 38.890 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.016 | 0.246 |
Rmeas | 0.022 | 0.348 |
Rpim | 0.016 | 0.246 |
Number of reflections | 35970 | 3565 |
<I/σ(I)> | 16.87 | |
Completeness [%] | 97.4 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.961 |
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 |