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 |
