2YY2

Crystal structure of the human Phosphodiesterase 9A catalytic domain complexed with IBMX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-01-11
Detector	RIGAKU RAXIS V
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	104.270, 104.270, 269.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.950 - 2.800
R-factor	0.206
Rwork	0.206
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TBM
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	37083
<I/σ(I)>	13.1	2.5
Completeness [%]	99.0	98
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	2mM IBMX, 0.1 M Hepes, 2.2M Na-formate, 3% xylitol, 20mM ZnSO4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K