2VV1
hPPARgamma Ligand binding domain in complex with 4-HDHA
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 | 93.199, 62.198, 118.891 |
| Unit cell angles | 90.00, 102.75, 90.00 |
Refinement procedure
| Resolution | 49.270 - 2.200 |
| R-factor | 0.239 |
| Rwork | 0.239 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i4p |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.100 |
| 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 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.280 |
| Number of reflections | 52255 | |
| <I/σ(I)> | 10.2 | 2.6 |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 295 | PH 8, TRIS 100MM, 0.7M NACITRATE, 1MM TCEP, 0.5MM EDTA, VAPOUR DIFFUSION, DARK, UNDER NITROGEN, 22 DEGREES CELSIUS |
