8WDN
Crystal structure of PDE4D complexed with 7b-1
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 | 57.965, 80.407, 163.413 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.420 - 1.550 |
R-factor | 0.2093 |
Rwork | 0.208 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.735 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.420 | 1.605 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 111709 | 11013 |
<I/σ(I)> | 23.6 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.848 |
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 |