4L96
Structure of the complex between the F360L PPARgamma mutant and the ligand LT175 (space group I222)
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 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.170, 112.000, 116.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.840 - 2.380 |
| R-factor | 0.18566 |
| Rwork | 0.183 |
| R-free | 0.22585 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b3k |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.435 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.110 | 0.601 |
| Number of reflections | 17959 | |
| <I/σ(I)> | 11.3 | 2.9 |
| Completeness [%] | 100.0 | 99.3 |
| Redundancy | 6.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | 0.35M Na-phosphate, 0.65 M K-phosphate., pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
