6O67
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.930, 60.350, 118.110 |
Unit cell angles | 90.00, 103.14, 90.00 |
Refinement procedure
Resolution | 48.300 - 2.520 |
R-factor | 0.1923 |
Rwork | 0.187 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1prg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.994 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 2.610 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.036 | 0.303 |
Rmeas | 0.051 | 0.428 |
Rpim | 0.036 | 0.303 |
Number of reflections | 21743 | 2124 |
<I/σ(I)> | 11.79 | 2.54 |
Completeness [%] | 99.9 | 99.77 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 0.8M SODIUM CITRATE, 100mM MOPS, pH 7.6 |