3NOA
Crystal structure of human PPAR-gamma ligand binding domain complex with a potency improved 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 | 2009-11-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.404, 87.744, 57.674 |
| Unit cell angles | 90.00, 90.73, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.980 |
| R-factor | 0.23298 |
| Rwork | 0.231 |
| R-free | 0.27482 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hwr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.378 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (9.2) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.055 | 0.368 |
| Number of reflections | 38549 | |
| <I/σ(I)> | 16.55 | 3.17 |
| Completeness [%] | 97.6 | 97.9 |
| Redundancy | 24.58 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 27.5% PEG 3350, 16mM sodium citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
