4A4V
Ligand binding domain of human PPAR gamma in complex with amorfrutin 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-25 |
| Detector | RIGAKU-MSC SATURN 944 PLUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.290, 60.970, 117.900 |
| Unit cell angles | 90.00, 102.65, 90.00 |
Refinement procedure
| Resolution | 27.450 - 2.000 |
| R-factor | 0.21146 |
| Rwork | 0.209 |
| R-free | 0.25907 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.560 |
| Number of reflections | 43005 | |
| <I/σ(I)> | 13.7 | 2.8 |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.8 M TRI-SODIUM CITRATE, 0.1 M IMIDAZOLE, PH 8.0 |
