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 |
