8CPH
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.521, 63.355, 168.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.540 - 2.400 |
R-factor | 0.21886 |
Rwork | 0.216 |
R-free | 0.26341 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.326 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.500 | 2.510 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.058 | 1.255 |
Rmeas | 0.063 | 1.409 |
Rpim | 0.020 | 0.455 |
Number of reflections | 26908 | 3218 |
<I/σ(I)> | 17.2 | 1.8 |
Completeness [%] | 99.8 | |
Redundancy | 9.6 | 9.4 |
CC(1/2) | 1.000 | 0.738 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 30% PEG 3350, 0.15M sodium citrate |