4FGY
Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-05 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.5862 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.360, 86.527, 122.691 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.360 - 2.840 |
R-factor | 0.22181 |
Rwork | 0.219 |
R-free | 0.28537 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.697 |
Data reduction software | d*TREK |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.345 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 9605 | |
Completeness [%] | 93.3 | 72.8 |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 0.2 M sodium acetate, 5% ethylene glycol, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP |