8C0C
X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ46
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-28 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967697 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.127, 61.328, 118.770 |
Unit cell angles | 90.00, 102.95, 90.00 |
Refinement procedure
Resolution | 40.810 - 2.200 |
R-factor | 0.2272 |
Rwork | 0.225 |
R-free | 0.27150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.293 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | AMoRE |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.810 | 2.260 |
High resolution limit [Å] | 2.030 | 2.200 |
Rmerge | 0.035 | |
Number of reflections | 40546 | 40546 |
<I/σ(I)> | 14.5 | |
Completeness [%] | 95.6 | |
Redundancy | 2.9 | |
CC(1/2) | 0.999 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.8 M SODIUM CITRATE, 0.15 M TRIS, PH 8.0 |