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 |
