3FUR
Crystal Structure of PPARg in complex with INT131
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-01-04 |
Detector | RIGAKU |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.995, 68.074, 86.956 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.040 - 2.300 |
R-factor | 0.19397 |
Rwork | 0.188 |
R-free | 0.24250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.404 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.330 |
High resolution limit [Å] | 2.250 | 4.840 | 2.250 |
Rmerge | 0.060 | 0.034 | 0.120 |
Number of reflections | 14393 | ||
<I/σ(I)> | 23.2 | ||
Completeness [%] | 93.1 | 99.6 | 46.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG 4000, 0.2M MgCl2, Tris-HCl 8.5, vapor diffusion, hanging drop, temperature 298K |