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 |