6F6U

Crystal structure of the PDE4D catalytic domain in complex with GEBR-7b

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	2016-06-05
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.827, 98.936, 119.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.708 - 1.828
R-factor	0.1871
Rwork	0.185
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pw3
RMSD bond length	0.006
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.710	2.271
High resolution limit [Å]	1.820	1.828
Rmerge	0.106
Number of reflections	67790
<I/σ(I)>	10
Completeness [%]	98.7
Redundancy	6.5

Crystallization Conditions

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