9GFU
Human PPAR-gamma ligand binding domain in complex with AKGO172
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-28 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.749, 61.792, 119.309 |
| Unit cell angles | 90.00, 101.73, 90.00 |
Refinement procedure
| Resolution | 45.230 - 2.100 |
| R-factor | 0.2135 |
| Rwork | 0.212 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.969 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (version 1.21.2-5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.230 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 38004 | 3118 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 96.1 | 96.8 |
| Redundancy | 7.6 | 7.2 |
| CC(1/2) | 0.990 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.9M-1.2M sodium citrate tribasic dihydrate, 0.1M sodium cacodylate pH 6.4-7.4 |
