4L98
Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-01 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.973 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.410, 112.460, 117.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 117.740 - 2.280 |
R-factor | 0.21309 |
Rwork | 0.211 |
R-free | 0.25760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b3k |
RMSD bond length | 0.011 |
RMSD bond angle | 1.506 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.088 | 0.424 |
Number of reflections | 39713 | |
<I/σ(I)> | 18.9 | 4.8 |
Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.3 M Sodium Formate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |