4A4W
Ligand binding domain of human PPAR gamma in complex with amorfrutin B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-30 |
Detector | RIGAKU-MSC SATURN 944 PLUS |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.140, 60.860, 117.600 |
Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
Resolution | 29.410 - 2.000 |
R-factor | 0.2047 |
Rwork | 0.203 |
R-free | 0.23436 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1prg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.186 |
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] | 29.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 0.450 |
Number of reflections | 42829 | |
<I/σ(I)> | 17.7 | 3.4 |
Completeness [%] | 99.2 | 97.7 |
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 |