6MD2
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Arachidonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.877, 62.095, 119.185 |
| Unit cell angles | 90.00, 101.90, 90.00 |
Refinement procedure
| Resolution | 39.660 - 2.200 |
| R-factor | 0.227 |
| Rwork | 0.224 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prg |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.663 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.016 | 0.277 |
| Rmeas | 0.022 | 0.391 |
| Rpim | 0.016 | 0.277 |
| Number of reflections | 33474 | 3285 |
| <I/σ(I)> | 17.06 | 2.52 |
| Completeness [%] | 98.3 | 97.39 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 0.1M MOPS, pH 7.4 0.8M SODIUM CITRATE |
