3JWQ
Crystal structure of chimeric PDE5/PDE6 catalytic domain complexed with sildenafil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.732, 109.825, 199.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.080 - 2.870 |
R-factor | 0.22588 |
Rwork | 0.223 |
R-free | 0.27528 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h42 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.512 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 2.947 |
High resolution limit [Å] | 2.870 | 2.873 |
Number of reflections | 31941 | |
Completeness [%] | 86.7 | 72.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mM Tris, 200 mM MgSO4, 12% PEG-3350, 2.5% ethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |