4OJ4
Crystal structure of V290M PPARgamma mutant in complex with diclofenac
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 60.040, 60.040, 161.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.190 - 2.300 |
R-factor | 0.2224 |
Rwork | 0.219 |
R-free | 0.28370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.638 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.264 | 48.148 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.152 | 0.105 | 0.625 |
Number of reflections | 12961 | ||
<I/σ(I)> | 7.8 | 4.9 | 1.2 |
Completeness [%] | 93.2 | 99.7 | 100 |
Redundancy | 7.2 | 6.3 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | PEG 4000 30%, CaCl2 200 mM, HEPES 100 mM, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |