9V8H
PPARgamma ligand-binding domain in complex with PG08-NL and rosiglitazone
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 | 2024-01-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.690, 53.470, 66.830 |
| Unit cell angles | 90.00, 106.50, 90.00 |
Refinement procedure
| Resolution | 32.060 - 1.390 |
| R-factor | 0.16378 |
| Rwork | 0.163 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8hum |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.057 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.890 | 1.440 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Number of reflections | 59561 | 5973 |
| <I/σ(I)> | 20 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 70.7 | |
| CC(1/2) | 1.000 | 0.681 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M sodium malonate (pH 7.5 to 8.0) and 15 to 20% PEG 3,350 |
