4CI4
Structural basis for GL479 a dual Peroxisome Proliferator-Activated Receptor alpha 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 | P 41 21 2 |
| Unit cell lengths | 64.526, 64.526, 124.387 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.779 - 2.302 |
| R-factor | 0.2169 |
| Rwork | 0.215 |
| R-free | 0.25790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bcr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| 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] | 44.780 | 2.430 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.470 |
| Number of reflections | 22478 | |
| <I/σ(I)> | 12.5 | 2.2 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 27% PEG 20000, 0.1 M TRIS-HCL PH 7.0 |
