4CI5
Structural basis for GL479 a dual Peroxisome Proliferator-Activated Receptor gamma agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-24 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.488, 64.247, 118.781 |
| Unit cell angles | 90.00, 102.59, 90.00 |
Refinement procedure
| Resolution | 32.535 - 1.770 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sz1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.088 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.850 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.060 | 0.620 |
| Number of reflections | 62608 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 98.8 | 97.9 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.8 M SODIUM CITRATE TRIBASIC DIHYDRATE, 0.1 M HEPES PH 8.0 |
