7F2M
Crystal structure of PDE4D catalytic domain complexed with compound 18d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-13 |
Detector | RIGAKU HyPix-3000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.487, 80.157, 162.787 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.213 - 2.200 |
R-factor | 0.200400045514 |
Rwork | 0.198 |
R-free | 0.24675 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wqa |
RMSD bond length | 0.007 |
RMSD bond angle | 0.881 |
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] | 24.213 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.085 | 0.282 |
Number of reflections | 38825 | 3812 |
<I/σ(I)> | 13.9 | 3.3 |
Completeness [%] | 99.5 | 99.6 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M HEPES (pH 7.4), 0.1 M MgCl2, 15% PEG3350, 10% isopropanol, and 25% ethylene glycol |