4R6S
Crystal structure of PPARgammma in complex with SR1663
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-23 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.241, 61.940, 119.226 |
| Unit cell angles | 90.00, 103.44, 90.00 |
Refinement procedure
| Resolution | 41.124 - 2.301 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q59 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.116 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.032 | 0.016 | 0.426 |
| Number of reflections | 28903 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 97.8 | 96.8 | 98.1 |
| Redundancy | 4.2 | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4M sodium citrate, 0.125M Tris 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
