5Z5S
Crystal structure of the PPARgamma-LBD complexed with compound 13ab
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 | 2006-06-02 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.408, 54.015, 66.242 |
Unit cell angles | 90.00, 106.48, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.800 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v9t |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNX |
Refinement software | CNX (2000.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 27394 | 2712 |
<I/σ(I)> | 23.1 | |
Completeness [%] | 99.8 | |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | PEG 4000, NaSCN, Tris-HCl |