3B0R
Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.700, 59.801, 117.255 |
| Unit cell angles | 90.00, 103.60, 90.00 |
Refinement procedure
| Resolution | 19.690 - 2.150 |
| R-factor | 0.20907 |
| Rwork | 0.207 |
| R-free | 0.24917 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2prg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.040 | 0.101 |
| Number of reflections | 32277 | |
| <I/σ(I)> | 18.2 | 9.9 |
| Completeness [%] | 94.6 | 85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.8M sodium citrate, 0.1M Hepes (pH7.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
