2VV2
hPPARgamma Ligand binding domain in complex with 5-HEPA
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 | 93.781, 61.733, 120.060 |
| Unit cell angles | 90.00, 103.65, 90.00 |
Refinement procedure
| Resolution | 36.150 - 2.750 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i4p |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.300 |
| 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] | 58.320 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.130 | 0.340 |
| Number of reflections | 32564 | |
| <I/σ(I)> | 10.3 | 3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 295 | PH 8, TRIS 100MM, 0.7M NA CITRATE, 1MM TCEP, 0.5MM EDTA, VAPOUR DIFFUSION, DARK, UNDER NITROGEN, 22 DEGREES CELCIUS |
