3V9Y
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2004-05-31 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.700, 52.776, 65.891 |
Unit cell angles | 90.00, 91.10, 90.00 |
Refinement procedure
Resolution | 19.350 - 2.100 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lmp |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 15141 | |
Completeness [%] | 97.2 | 95.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | PEG 4000, sodium thiocyanate, Tris-hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |