3JSW

Human PDE9 in complex with selective inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-11-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	103.278, 103.278, 270.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.18288
Rwork	0.179
R-free	0.21193
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3dyn
RMSD bond length	0.026
RMSD bond angle	1.993
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.2.0005)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Rmerge	0.104
Number of reflections	65551
<I/σ(I)>	23.2
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1