8WDO
Crystal structure of PDE4D complexed with DCN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-02 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.9738 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.504, 80.027, 163.152 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.790 - 1.670 |
R-factor | 0.1987 |
Rwork | 0.197 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.790 | 1.730 |
High resolution limit [Å] | 1.670 | 1.670 |
Number of reflections | 85748 | 8602 |
<I/σ(I)> | 15.7 | |
Completeness [%] | 96.8 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M HEPES, 0.2 M MgCl2, 10 % (v/v) Isopropanol, 30 % (v/v) Ethylene glycol, 18 % (w/v) PEG 3350 |