6VZM
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone
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 | 2018-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.071, 61.591, 120.527 |
Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
Resolution | 33.415 - 2.400 |
R-factor | 0.222 |
Rwork | 0.217 |
R-free | 0.27820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1prg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.167 |
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] | 33.415 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.024 | 0.361 |
Rmeas | 0.035 | |
Rpim | 0.024 | 0.361 |
Number of reflections | 25861 | 2552 |
<I/σ(I)> | 13.59 | |
Completeness [%] | 98.2 | 98.76 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.774 |
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 |