9GX3
Human PPAR-gamma ligand binding domain in complex with AKGO12
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 | 93.692, 61.270, 118.735 |
| Unit cell angles | 90.00, 101.92, 90.00 |
Refinement procedure
| Resolution | 40.680 - 1.900 |
| R-factor | 0.2247 |
| Rwork | 0.224 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.994 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (v5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.680 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 50200 | 3289 |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 96.5 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.994 | 0.711 |
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 |
