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 |
