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 |
