7AY6

Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b

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	64.838, 98.660, 120.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.330 - 1.660
R-factor	0.1832
Rwork	0.181
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pw3
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.840	1.690
High resolution limit [Å]	1.660	1.660
Number of reflections	89823	3984
<I/σ(I)>	9.1
Completeness [%]	98.5	90.1
Redundancy	5.7
CC(1/2)	0.996	0.600

Crystallization Conditions

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