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 |
