6DGL
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Darglitazone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-03-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.360, 61.740, 119.470 |
| Unit cell angles | 90.00, 102.72, 90.00 |
Refinement procedure
| Resolution | 41.015 - 1.950 |
| R-factor | 0.2244 |
| Rwork | 0.222 |
| R-free | 0.26850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.912 |
| 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] | 41.015 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 47271 | 4544 |
| <I/σ(I)> | 94.48 | 3.2 |
| Completeness [%] | 96.1 | 94.82 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 0.8M SODIUM CITRATE, 100mM MOPS, pH 7.6 |
