6CPU

Crystal structure of yeast caPDE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-11
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	139.524, 74.753, 65.456
Unit cell angles	90.00, 109.12, 90.00

Refinement procedure

Resolution	65.910 - 1.800
R-factor	0.2006
Rwork	0.199
R-free	0.22626
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pde4d2
RMSD bond length	0.007
RMSD bond angle	1.081
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.910	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	57843
<I/σ(I)>	15.2
Completeness [%]	99.2
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	The 10-15 mg/ml full length caPDE2 (1-571) was stored in a buffer of 20 mM Tris.base, pH 7.5, 50 mM NaCl, 1 mM 2-mercaptoethanol, 1 mM EDTA and crystallized at room temperature by hanging drop against a well buffer of 50 mM MES, pH 6.5, 0.1 M ammonium sulfate, 6-10% PEG8000, or a buffer of 50 mM Na citrate pH 5.6, 0.1 M ammonium acetate, 5% glycerol, and 6-10% PEG3350