4O8F
Crystal Structure of the complex between PPARgamma mutant R357A and rosiglitazone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.700, 87.100, 163.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.088 - 2.600 |
| R-factor | 0.2405 |
| Rwork | 0.234 |
| R-free | 0.29710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2prg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.602 |
| 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] | 81.920 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.061 | 0.435 |
| Number of reflections | 18994 | |
| <I/σ(I)> | 9.3 | 1.3 |
| Completeness [%] | 98.8 | 97.5 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | MORPHEUS A5: 10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.1 M MOPS/HEPES-Na, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
