8FKC
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
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 | 2021-08-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979318 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.054, 62.054, 160.719 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.880 - 1.420 |
| R-factor | 0.1859 |
| Rwork | 0.185 |
| R-free | 0.19750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.175 |
| 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] | 43.880 | 1.468 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.039 | 1.065 |
| Number of reflections | 60517 | 5857 |
| <I/σ(I)> | 44.98 | 2.64 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 25.5 | 20.8 |
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 |
