9L3T
PPARgamma Ligand binding domain in complex with piperine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.430, 62.020, 119.490 |
| Unit cell angles | 90.00, 102.09, 90.00 |
Refinement procedure
| Resolution | 45.680 - 2.360 |
| Rwork | 0.201 |
| R-free | 0.25470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vv3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.200 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.680 | 2.450 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmeas | 0.058 | 0.344 |
| Rpim | 0.040 | 0.236 |
| Number of reflections | 27580 | 2863 |
| <I/σ(I)> | 9.2 | 2.6 |
| Completeness [%] | 99.6 | |
| Redundancy | 3.1 | 2.9 |
| CC(1/2) | 0.995 | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M Tris-HCl, 0.7 M sodium citrate |
