7W4Y

Crystal structure of PDE4D catalytic domain complexed with 33a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-24
Detector	Bruker AXIOM 200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.294, 80.834, 163.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.189 - 2.100
R-factor	0.198836690932
Rwork	0.197
R-free	0.24396
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqa
RMSD bond length	0.006
RMSD bond angle	0.938
Data reduction software	CrysalisPro (171.39.46)
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.190	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.099	0.212
Number of reflections	45663	4527
<I/σ(I)>	17.4	5.1
Completeness [%]	99.5	100
Redundancy	5.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277	0.1 M Hepes (pH 7.4), 0.1 M MgCl2, 15% PEG3350, 10% isopropanol, 25% ethylene glycol