7CXG
The ligand-free structure of human PPARgamma LBD Q286E mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.986, 59.886, 117.761 |
| Unit cell angles | 90.00, 103.40, 90.00 |
Refinement procedure
| Resolution | 49.818 - 1.880 |
| Rwork | 0.187 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l8b |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.226 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Number of reflections | 51089 | 2502 |
| <I/σ(I)> | 22.49 | 1.96 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.2 M Sodium citrate tribasic dihydrate, 0.1 M HEPES pH 7.5 |
