1GWX
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.250, 94.900, 96.200 |
| Unit cell angles | 90.00, 98.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.238 * |
| Rwork | 0.246 |
| R-free | 0.30300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 * |
| High resolution limit [Å] | 2.500 * |
| Rmerge | 0.094 * |
| Number of reflections | 22731 * |
| Completeness [%] | 94.5 * |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 9 | pH 9.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | bis-tris-propandiol | 40 (mM) | |
| 2 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 3 | 1 | reservoir | propandiol | 2.5 (%) | |
| 4 | 1 | reservoir | EDTA | 1 (mM) | |
| 5 | 1 | reservoir | heptyl-beta-D-glucopyranoside | 0.5 (%) | |
| 6 | 1 | reservoir | 0.2 (mM) | ||
| 7 | 1 | reservoir | PEG8000 | 5 (%) |
