3S9S
Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-09 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.086, 88.754, 122.605 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.300 - 2.550 |
| R-factor | 0.227 |
| Rwork | 0.224 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pob |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.158 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.300 | 2.610 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.058 | 0.440 |
| Number of reflections | 9418 | |
| <I/σ(I)> | 47.6 | 5 |
| Completeness [%] | 95.9 | 85 |
| Redundancy | 5.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 100MM HEPES, 1.4M SODIUM CITRATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
