6JEY
Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.890, 61.170, 118.480 |
| Unit cell angles | 90.00, 102.76, 90.00 |
Refinement procedure
| Resolution | 29.570 - 2.200 |
| R-factor | 0.23861 |
| Rwork | 0.235 |
| R-free | 0.30971 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vv3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.523 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.058 | 0.140 |
| Rpim | 0.038 | 0.086 |
| Number of reflections | 25142 | 2233 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 76.3 | |
| Redundancy | 3 | |
| CC(1/2) | 0.995 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl pH 7.4, 0.8 M sodium citrate |
