7B9H

Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-23
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	64.748, 98.628, 119.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.130 - 1.500
R-factor	0.1956
Rwork	0.194
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pw3
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19rc7_4070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.130	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	122986	5856
<I/σ(I)>	11.5
Completeness [%]	99.8
Redundancy	12.9
CC(1/2)	0.999	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Magnesium Chloride, Hepes