9GWL
Human PPAR-gamma ligand binding domain in complex with AKGO157
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) | 0.9677 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.575, 61.487, 119.107 |
| Unit cell angles | 90.00, 102.03, 90.00 |
Refinement procedure
| Resolution | 40.810 - 2.200 |
| R-factor | 0.2195 |
| Rwork | 0.218 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.957 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.810 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 32843 | 2835 |
| <I/σ(I)> | 15.1 | 3.7 |
| Completeness [%] | 97.3 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.990 | 0.957 |
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 |
