6JF0
Covalent labeling of hPPARg-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
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 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.120, 61.230, 117.370 |
| Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
| Resolution | 45.010 - 3.400 |
| R-factor | 0.26831 |
| Rwork | 0.267 |
| R-free | 0.29561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vv3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.787 |
| 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] | 48.510 | 3.670 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.142 | 0.247 |
| Rpim | 0.090 | 0.157 |
| Number of reflections | 6701 | 3901 |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 75.0 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.972 | 0.696 |
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 |
