5Y2O
Structure of PPARgamma ligand binding domain-pioglitazone complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.584, 88.139, 57.732 |
| Unit cell angles | 90.00, 91.24, 90.00 |
Refinement procedure
| Resolution | 35.027 - 1.801 |
| R-factor | 0.2033 |
| Rwork | 0.202 |
| R-free | 0.23190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ema |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.839 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.382 |
| Rpim | 0.031 | 0.185 |
| Number of reflections | 49957 | 2257 |
| <I/σ(I)> | 33.4 | 3.5 |
| Completeness [%] | 97.1 | 97.2 |
| Redundancy | 4.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 0.1M HEPES NaOH pH 7.5, 17.5% PEG 8000, 10% EG |
