2POB
PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Collection date | 2000-10-01 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.916, 62.006, 118.172 |
| Unit cell angles | 90.00, 101.94, 90.00 |
Refinement procedure
| Resolution | 24.500 - 2.300 |
| R-factor | 0.22612 |
| Rwork | 0.225 |
| R-free | 0.27302 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PPARgamma lbd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.265 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.500 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.052 | 0.483 |
| Number of reflections | 26825 | |
| <I/σ(I)> | 22.97 | 1.61 |
| Completeness [%] | 91.1 | 65.3 |
| Redundancy | 4.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 100mM Hepes and 1.4M sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
