7L28

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

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	2018-07-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976251
Spacegroup name	P 1 21 1
Unit cell lengths	83.240, 59.650, 158.120
Unit cell angles	90.00, 90.48, 90.00

Refinement procedure

Resolution	46.290 - 2.200
R-factor	0.2348
Rwork	0.233
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1so2
RMSD bond length	0.013
RMSD bond angle	1.712
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]	46.290	46.290	2.340
High resolution limit [Å]	2.200	6.560	2.200
Rmerge	0.045	0.033	0.479
Rmeas	0.054	0.041	0.570
Total number of observations	256435
Number of reflections	77869	3039	12593
<I/σ(I)>	14.54	32.22	2.39
Completeness [%]	98.2	96.6	95
Redundancy	3.293	2.872	3.362
CC(1/2)	0.997	0.996	0.923

Crystallization Conditions

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