9GZC
Human PPAR-gamma ligand binding domain in complex with AKGO142
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 | 2023-07-12 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.148, 62.203, 118.952 |
| Unit cell angles | 90.00, 101.41, 90.00 |
Refinement procedure
| Resolution | 45.690 - 2.300 |
| R-factor | 0.2263 |
| Rwork | 0.225 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.040 |
| 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] | 45.690 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 27867 | 18595 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 93.4 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.999 | 0.764 |
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 |
