2VV3
hPPARgamma Ligand binding domain in complex with 4-oxoDHA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-16 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.040, 61.750, 119.480 |
| Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
| Resolution | 33.610 - 2.850 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i4p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.120 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.140 | 0.340 |
| Number of reflections | 28148 | |
| <I/σ(I)> | 8.4 | 3.3 |
| Completeness [%] | 98.5 | 99.9 |
| Redundancy | 2.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 295 | TRIS 100MM PH 8, 0.7M NA-CITRATE, 1MM TCEP, 0.5MM EDTA, VAPOUR DIFFUSION, DARK, UNDER NITROGEN, 22 DEGREES CELSIUS |
