2YFE
Ligand binding domain of human PPAR gamma in complex with amorfrutin 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-11 |
Detector | RIGAKU SATURN 944 PLUS |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.810, 61.100, 118.220 |
Unit cell angles | 90.00, 102.78, 90.00 |
Refinement procedure
Resolution | 27.580 - 2.000 |
R-factor | 0.20672 |
Rwork | 0.204 |
R-free | 0.25385 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1prg |
RMSD bond length | 0.011 |
RMSD bond angle | 1.243 |
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] | 27.500 | 2.150 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.110 | 0.640 |
Number of reflections | 43633 | |
<I/σ(I)> | 15.82 | 3.1 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 6.7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.8M TRI-SODIUM CITRATE, 0.1M IMIDAZOLE, PH 8.0 |