9V8G
PPARgamma ligand-binding domain in complex with PG08-NL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-04 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.820, 53.860, 66.860 |
| Unit cell angles | 90.00, 106.04, 90.00 |
Refinement procedure
| Resolution | 42.110 - 1.390 |
| R-factor | 0.1717 |
| Rwork | 0.171 |
| R-free | 0.18230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8hum |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.354 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.110 | 1.470 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Number of reflections | 59727 | 8903 |
| <I/σ(I)> | 18 | 4.6 |
| Completeness [%] | 99.0 | |
| Redundancy | 4.8 | |
| CC(1/2) | 0.996 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M sodium malonate (pH 7.0) and 20% PEG 3,350 |
