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 |