2Q59
Crystal Structure of PPARgamma LBD bound to full agonist MRL20
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.161, 63.939, 119.187 |
Unit cell angles | 90.00, 103.43, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.200 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1knu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.302 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.073 | 0.423 |
Number of reflections | 32936 | |
<I/σ(I)> | 23.1 | 2.9 |
Completeness [%] | 99.2 | 95.7 |
Redundancy | 6.8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4 M sodium citrate, 0.125 M Tris 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |