7L27

Crystal structure of the catalytic domain of human PDE3A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976251
Spacegroup name	P 1 21 1
Unit cell lengths	82.370, 58.790, 157.660
Unit cell angles	90.00, 90.69, 90.00

Refinement procedure

Resolution	47.850 - 1.700
R-factor	0.1955
Rwork	0.194
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1so2
RMSD bond length	0.016
RMSD bond angle	1.810
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.850	47.850	1.810
High resolution limit [Å]	1.700	5.080	1.700
Rmerge	0.056	0.049	0.829
Rmeas	0.067	0.059	0.994
Total number of observations	533926
Number of reflections	164272	6335	27327
<I/σ(I)>	11.29	24.46	1.35
Completeness [%]	98.8	97.6	96.4
Redundancy	3.25	3.043	3.186
CC(1/2)	0.997	0.993	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293.15	MES, PEG 3350, calcium acetate