7FAQ
Crystal structure of PDE5A in complex with inhibitor L1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-03 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 73.875, 73.875, 131.855 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.702 - 2.200 |
| R-factor | 0.227501476184 |
| Rwork | 0.225 |
| R-free | 0.27207 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4md6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.171 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.710 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.054 | 0.572 |
| Number of reflections | 21798 | 2186 |
| <I/σ(I)> | 33 | 2.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.1 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M magnesium sulfate, 0.1 M sodium cacodylate, pH 6.5, 17% PEG3350 |
