5F9B
X-ray crystal structure of PPARgamma in the complex with caulophyllogenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-02 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.873 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.210, 61.660, 118.900 |
Unit cell angles | 90.00, 102.80, 90.00 |
Refinement procedure
Resolution | 45.909 - 2.250 |
R-factor | 0.2325 |
Rwork | 0.230 |
R-free | 0.28050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d6d |
RMSD bond length | 0.010 |
RMSD bond angle | 1.389 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.900 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.060 | 0.349 |
Number of reflections | 31203 | |
<I/σ(I)> | 9.2 | 2.8 |
Completeness [%] | 99.3 | 99.5 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8M NA CITRATE, 0.15M TRIS, PH8.0 |