3GBK
Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.502, 88.892, 58.371 |
| Unit cell angles | 90.00, 91.06, 90.00 |
Refinement procedure
| Resolution | 26.120 - 2.300 |
| R-factor | 0.23399 |
| Rwork | 0.230 |
| R-free | 0.29785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hwr |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.866 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (9.2) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.390 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.082 | 0.382 |
| Total number of observations | 642210 | |
| Number of reflections | 25665 | |
| <I/σ(I)> | 15.07 | 5.08 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 25.02 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 28.25% PEG 3350. 0.016M sodium citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
