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 |