6AN1
Crystal structure of the complex between PPARgamma LBD and the ligand AM-879
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.45862 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.321, 61.366, 118.450 |
| Unit cell angles | 90.00, 102.65, 90.00 |
Refinement procedure
| Resolution | 40.744 - 2.687 |
| R-factor | 0.2211 |
| Rwork | 0.218 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.751 |
| Data reduction software | MOSFLM |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.740 |
| High resolution limit [Å] | 2.690 |
| Number of reflections | 18387 |
| <I/σ(I)> | 20.59 |
| Completeness [%] | 99.6 |
| Redundancy | 6.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.9M tri-sodium citrate, 100mM Hepes, 3.5% 1,2-propanediol, pH 7.0 |
