6C1I
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 123 |
Detector technology | PIXEL |
Collection date | 2016-03-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.990, 61.690, 118.660 |
Unit cell angles | 90.00, 102.31, 90.00 |
Refinement procedure
Resolution | 48.920 - 2.260 |
R-factor | 0.219 |
Rwork | 0.215 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1prg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.934 |
Data scaling software | SCALA |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.921 | 2.341 |
High resolution limit [Å] | 2.260 | 2.260 |
Rpim | 0.030 | 0.336 |
Number of reflections | 31012 | |
<I/σ(I)> | 10.73 | 2.12 |
Completeness [%] | 99.5 | 99.84 |
Redundancy | 2 | |
CC(1/2) | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1 M MOPS, pH 6.5, 0.8 M sodium citrate |