7L29

Crystal structure of the catalytic domain of human PDE3A bound to AMP

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	2018-08-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976251
Spacegroup name	P 1 21 1
Unit cell lengths	82.415, 58.783, 156.996
Unit cell angles	90.00, 90.74, 90.00

Refinement procedure

Resolution	47.900 - 2.080
R-factor	0.2357
Rwork	0.235
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ISO2
RMSD bond length	0.016
RMSD bond angle	1.820
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.900	47.900	2.200
High resolution limit [Å]	2.080	6.190	2.080
Rmerge	0.074	0.024	0.982
Rmeas	0.087	0.029	1.150
Total number of observations	330491
Number of reflections	90479	3601	13814
<I/σ(I)>	12.2	37.19	1.82
Completeness [%]	99.5	98.9	99
Redundancy	3.653	3.246	3.623
CC(1/2)	0.998	0.998	0.581

Crystallization Conditions

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