7WGQ
X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals 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 | 49.422, 63.320, 123.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.587 - 2.430 |
| R-factor | 0.2089 |
| Rwork | 0.207 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wm0 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.529 |
| 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] | 45.890 | 45.890 | 2.520 |
| High resolution limit [Å] | 2.430 | 9.090 | 2.430 |
| Rmerge | 0.034 | 0.014 | 0.339 |
| Rmeas | 0.037 | 0.015 | 0.368 |
| Rpim | 0.014 | 0.006 | 0.142 |
| Total number of observations | 98474 | ||
| Number of reflections | 14985 | 342 | 1531 |
| <I/σ(I)> | 30.4 | 87.3 | 5.1 |
| Completeness [%] | 98.7 | 98.6 | 98 |
| Redundancy | 6.6 | 5.7 | 6.7 |
| CC(1/2) | 1.000 | 1.000 | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M HEPES (pH 7.5), 1.1 M trisodium citrate |
