8ZFT
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and SR1664
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 | 2017-08-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.880, 62.680, 121.040 |
Unit cell angles | 90.00, 102.46, 90.00 |
Refinement procedure
Resolution | 59.095 - 3.200 |
R-factor | 0.2094 |
Rwork | 0.202 |
R-free | 0.27990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.370 |
Data reduction software | DIALS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.095 | 3.314 |
High resolution limit [Å] | 3.200 | 3.200 |
Number of reflections | 11555 | 1163 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 2 | 2 |
CC(1/2) | 0.995 | 0.809 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.8M SODIUM CITRATE, 100mM MOPS, pH 7.6 |