7W4Y
Crystal structure of PDE4D catalytic domain complexed with 33a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-04-24 |
Detector | Bruker AXIOM 200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.294, 80.834, 163.423 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.189 - 2.100 |
R-factor | 0.198836690932 |
Rwork | 0.197 |
R-free | 0.24396 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wqa |
RMSD bond length | 0.006 |
RMSD bond angle | 0.938 |
Data reduction software | CrysalisPro (171.39.46) |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.190 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.099 | 0.212 |
Number of reflections | 45663 | 4527 |
<I/σ(I)> | 17.4 | 5.1 |
Completeness [%] | 99.5 | 100 |
Redundancy | 5.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 0.1 M Hepes (pH 7.4), 0.1 M MgCl2, 15% PEG3350, 10% isopropanol, 25% ethylene glycol |