6DHA
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.080, 61.850, 119.670 |
| Unit cell angles | 90.00, 102.73, 90.00 |
Refinement procedure
| Resolution | 51.120 - 1.880 |
| R-factor | 0.222 |
| Rwork | 0.220 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prg |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.116 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.056 | 0.456 |
| Number of reflections | 53101 | |
| <I/σ(I)> | 4.93 | 1.29 |
| Completeness [%] | 97.3 | 95.1 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.8M SODIUM CITRATE, 100mM TRIS, pH 7.6 |
