9V8E
PPARgamma ligand-binding domain in complex with PG11
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 65 |
| Unit cell lengths | 106.430, 106.430, 59.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.700 - 1.700 |
| R-factor | 0.17473 |
| Rwork | 0.173 |
| R-free | 0.21487 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8hum |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.952 |
| 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] | 39.700 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 42452 | 6016 |
| <I/σ(I)> | 39.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 67.26 | |
| CC(1/2) | 1.000 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M phosphate/citrate buffer (pH 5.5) and 30% PEG Smear Low |
