6DH9
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602
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 | 2017-12-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.120, 60.200, 118.040 |
Unit cell angles | 90.00, 103.59, 90.00 |
Refinement procedure
Resolution | 57.370 - 2.700 |
R-factor | 0.191 |
Rwork | 0.185 |
R-free | 0.25000 |
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] | 57.370 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.068 | 0.322 |
Number of reflections | 17635 | 1749 |
<I/σ(I)> | 8.73 | 2.56 |
Completeness [%] | 99.5 | 98.5 |
Redundancy | 1.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.8M SODIUM CITRATE, 100mM MOPS, pH 7.6 |