8REJ
Crystal structure of PPAR gamma Ligand Binding Domain in complex with the ligand LBB78
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 | 2023-07-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.880, 61.400, 119.320 |
| Unit cell angles | 90.00, 103.24, 90.00 |
Refinement procedure
| Resolution | 58.070 - 3.160 |
| R-factor | 0.2238 |
| Rwork | 0.219 |
| R-free | 0.26640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.871 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.074 | 3.180 |
| High resolution limit [Å] | 3.125 | 3.125 |
| Rmerge | 0.156 | 1.516 |
| Rmeas | 0.188 | |
| Number of reflections | 7876 | 394 |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 86.2 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.8 M Na citrate, 0.15 M Tris |
