5ZZ2
Crystal structure of PDE5 in complex with inhibitor LW1634
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-05 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.5406 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 74.474, 74.474, 132.341 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.730 - 2.600 |
R-factor | 0.21153 |
Rwork | 0.209 |
R-free | 0.26436 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4md6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.158 |
Data reduction software | CrysalisPro (38.41) |
Data scaling software | CrysalisPro (38.41) |
Phasing software | PHASER (1.10) |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.730 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 13486 | |
<I/σ(I)> | 27.7 | |
Completeness [%] | 99.3 | |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M Cacodylate Sodium (pH 6.5), 0.2 M MgSO4, 18% PEG3350, 2.5% ethanol |