6DCU
Crystal structure of PPAR gamma co-crystallized with nTZDpa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.19 |
| Spacegroup name | H 3 |
| Unit cell lengths | 94.085, 94.085, 192.424 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.934 - 2.950 |
| R-factor | 0.5499 |
| Rwork | 0.264 |
| R-free | 0.30270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tto |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.738 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.930 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmeas | 0.070 | 0.610 |
| Number of reflections | 12983 | 1244 |
| <I/σ(I)> | 15.3 | 1.7 |
| Completeness [%] | 96.9 | 92.35 |
| Redundancy | 3.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M Potassium thiocyanate 20%(w/v) PEG 3350 |
