7FAR
Crystal structure of PDE5A in complex with inhibitor L12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-04 |
Detector | RIGAKU HyPix-3000 |
Wavelength(s) | 1.54056 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.917, 73.917, 132.251 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.800 - 2.400 |
R-factor | 0.214795705707 |
Rwork | 0.213 |
R-free | 0.24995 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4md6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.175 |
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] | 23.800 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.080 | 0.730 |
Number of reflections | 16912 | 1624 |
<I/σ(I)> | 26.4 | 3.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.7 | 7.2 |
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 |