9VDD

The crystal structure of PDE4D with inhibitor LH17

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-11
Detector	RIGAKU HyPix-3000
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	60.337, 78.334, 163.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.170 - 2.300
R-factor	0.2385
Rwork	0.235
R-free	0.29520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.017
Data reduction software	CrysalisPro (171.39.46)
Refinement software	REFMAC (V8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.170	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.145	0.301
Number of reflections	33804	3403
<I/σ(I)>	9
Completeness [%]	96.3
Redundancy	3.9

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, 12-15% PEG3350, 10% isopropanol, and 25% ethylene glycol