8XWW
Crystal structure of the catalytic domain of human PDE5A complexed with 2-(3-chlorobenzyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-07 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 74.261, 74.261, 131.943 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.910 - 2.460 |
| Rwork | 0.235 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (Phenix1.16-3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.910 | 2.560 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.072 | 0.746 |
| Number of reflections | 15861 | 1764 |
| <I/σ(I)> | 25.5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9 | |
| CC(1/2) | 0.999 | 0.763 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2 M magnesium sulfate, 0.1 M sodium cacodylate, pH 6.5, 17% PEG3350 |
