9V8D
PPARgamma ligand-binding domain in complex with PG08
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 | 43.620, 53.460, 66.910 |
| Unit cell angles | 90.00, 105.90, 90.00 |
Refinement procedure
| Resolution | 41.986 - 1.440 |
| Rwork | 0.172 |
| R-free | 0.20130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8hum |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.890 |
| 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] | 41.990 | 1.530 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Number of reflections | 53707 | 8874 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 21.8 | |
| CC(1/2) | 0.998 | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.1 M KCl, 0.1 M MgCl2, 18% PEG Smear Medium, and 10% ethylene glycol |
