1Y0S
Crystal structure of PPAR delta complexed with GW2331
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 180 |
Detector technology | IMAGE PLATE |
Collection date | 1997-11-07 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.356, 94.523, 96.492 |
Unit cell angles | 90.00, 97.92, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.650 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gwx |
RMSD bond length | 0.013 |
RMSD bond angle | 1.464 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.089 | 0.413 |
Number of reflections | 19351 | |
<I/σ(I)> | 16 | 2.6 |
Completeness [%] | 94.7 | 97.2 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | PEG 35K, KI, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |