6ACB
Crystal structure of PDE5 in complex with inhibitor LW1805
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-10 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 74.577, 74.577, 132.092 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.000 - 2.800 |
| R-factor | 0.20112 |
| Rwork | 0.198 |
| R-free | 0.26828 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4md6 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.510 |
| Data reduction software | CrysalisPro (38.41) |
| Data scaling software | CrysalisPro (38.41) |
| Phasing software | PHASER (1.10) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.132 | |
| Number of reflections | 10461 | |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 95.7 | |
| Redundancy | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M Cacodylate Sodium (pH6.5), 0.2 M MgSO4, 18% PEG3350, 2.5% ethanol |
