6F8U

Crystal structure of the PDE4D catalytic domain in complex with GEBR-20b

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	2016-05-06
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.672, 98.669, 119.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.334 - 2.100
R-factor	0.1682
Rwork	0.166
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f6u
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.348	2.614
High resolution limit [Å]	2.100	2.100
Rmerge	0.068
Number of reflections	45081
<I/σ(I)>	16.5
Completeness [%]	99.8
Redundancy	4.4

Crystallization Conditions

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