4XLD
Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2014-07-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.990, 66.990, 157.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.369 - 2.450 |
| R-factor | 0.1936 |
| Rwork | 0.191 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2prg |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.799 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX ((phenix.refine: 1.8.4_1496)) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.370 | 2.590 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.477 | |
| Number of reflections | 12488 | |
| <I/σ(I)> | 7.43 | 4.68 |
| Completeness [%] | 90.0 | 77.8 |
| Redundancy | 4.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 3-4 M Sodium Formate |
