7WGO
X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained by co-crystallization
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 | 2021-03-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.659, 64.946, 124.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.449 - 2.360 |
| R-factor | 0.1964 |
| Rwork | 0.195 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wm0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.012 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.11.1-2575-000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.120 | 46.120 | 2.450 |
| High resolution limit [Å] | 2.360 | 8.830 | 2.360 |
| Rmerge | 0.036 | 0.015 | 0.332 |
| Rmeas | 0.040 | 0.016 | 0.362 |
| Rpim | 0.016 | 0.007 | 0.143 |
| Total number of observations | 111695 | ||
| Number of reflections | 17210 | 397 | 1741 |
| <I/σ(I)> | 28.7 | 76.7 | 4.9 |
| Completeness [%] | 100.0 | 99.4 | 99.9 |
| Redundancy | 6.5 | 5.6 | 6.3 |
| CC(1/2) | 1.000 | 1.000 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M Tris (pH 8.0), 1.1 M trisodium citrate |
