6IZN
Crystal structure of the PPARgamma-LBD complexed with compound 3g
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 | 2008-04-11 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.994, 54.353, 66.594 |
| Unit cell angles | 90.00, 92.60, 90.00 |
Refinement procedure
| Resolution | 19.660 - 1.750 |
| R-factor | 0.239 |
| Rwork | 0.236 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v9t |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 27876 | 2625 |
| <I/σ(I)> | 24.1 | 3.6 |
| Completeness [%] | 98.0 | 93 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | PEG 4000, NaSCN, Tris-HCl |
