6VBI
crystal structure of PDE5 in complex with a non-competitive inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-05-01 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.975, 85.519, 124.381 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.459 - 2.300 |
| R-factor | 0.192155296318 |
| Rwork | 0.189 |
| R-free | 0.25250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h40 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.921 |
| Data reduction software | CrysalisPro (38.41) |
| Data scaling software | CrysalisPro (38.41) |
| Phasing software | PHASER (1.10) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.099 | 0.464 |
| Number of reflections | 31630 | 2617 |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 99.1 | 96.9 |
| Redundancy | 4.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | 8% PEG3350, 0.2 M ammonium acetate, 0.1 M Na Acetate, pH 4.6 |
