4E4Q
Crystal structure of PPARgamma with the ligand FS214
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 | CCD |
| Collection date | 2010-05-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.770, 61.270, 118.280 |
| Unit cell angles | 90.00, 102.15, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.500 |
| R-factor | 0.249 |
| Rwork | 0.242 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.270 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.087 | 0.540 |
| Number of reflections | 22426 | |
| <I/σ(I)> | 9.7 | 2.3 |
| Completeness [%] | 99.1 | 98.8 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8M NaCitrate, 0.15M Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293 KK |
