4Y8C

Crystal structure of phosphodiesterase 9 in complex with (S)-C33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.05
Spacegroup name	P 41 21 2
Unit cell lengths	104.719, 104.719, 270.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.650 - 2.700
R-factor	0.20654
Rwork	0.205
R-free	0.23119
RMSD bond length	0.008
RMSD bond angle	1.125
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.700
Rmerge	0.125
Number of reflections	42348
<I/σ(I)>	7.2
Completeness [%]	100.0
Redundancy	16.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M HEPES, pH 7.5, 3.0 M sodium formate, soaked in crystallization buffer + 2 mM (S)-C33 at 298K for 1 day