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