8FKD
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
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 | 2021-07-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979318 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.125, 62.125, 162.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.400 - 2.220 |
| R-factor | 0.2183 |
| Rwork | 0.217 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.444 |
| 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] | 42.400 | 2.302 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.122 | 1.479 |
| Number of reflections | 16390 | 1571 |
| <I/σ(I)> | 13.5 | 1.91 |
| Completeness [%] | 98.6 | 86.71 |
| Redundancy | 12.4 | 10.5 |
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 |
