5HZC
Crystal structure of the complex PPARgamma/AL26-29
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-02 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.873 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.400, 60.790, 119.030 |
| Unit cell angles | 90.00, 103.37, 90.00 |
Refinement procedure
| Resolution | 40.754 - 2.000 |
| R-factor | 0.2264 |
| Rwork | 0.224 |
| R-free | 0.26950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d6d |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.274 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.750 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | 0.646 |
| Number of reflections | 43099 | |
| <I/σ(I)> | 10.1 | 1.2 |
| Completeness [%] | 98.0 | 97 |
| Redundancy | 4.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | Sodium citrate 0.8 M, Tris base 0.15 M |
