3JWR
Crystal structure of chimeric PDE5/PDE6 catalytic domain complexed with 3-isobutyl-1-methylxanthine (IBMX) and PDE6 gamma-subunit inhibitory peptide 70-87.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-24 |
Detector | NOIR-1 |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.257, 125.651, 153.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.413 - 2.994 |
R-factor | 0.2155 |
Rwork | 0.212 |
R-free | 0.27970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jwq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.038 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.4_161)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.410 | 3.100 |
High resolution limit [Å] | 2.990 | 2.990 |
Number of reflections | 17916 | |
Completeness [%] | 93.0 | 87 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM HEPES, 1 M sodium citrate, 2.5% ethanol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |