4F9M
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 | 2005-10-25 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.693, 54.167, 66.218 |
Unit cell angles | 90.00, 91.38, 90.00 |
Refinement procedure
Resolution | 19.370 - 1.900 |
Rwork | 0.228 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lmp |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNX (2000.1) |
Refinement software | CNX (2000.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 23317 | |
<I/σ(I)> | 18 | 2.9 |
Completeness [%] | 99.3 | 100 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | PEG 4000, Sodium thiocyanate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |