2H40

Crystal structure of the catalytic domain of unliganded PDE5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 31 2 1
Unit cell lengths	74.735, 74.735, 130.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.850
Rwork	0.221
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rkp
RMSD bond length	0.008
RMSD bond angle	1.250
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.058	0.485
Number of reflections	36603
<I/σ(I)>	20.8	7.3
Completeness [%]	99.5	100
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2 M MgSO4, 0.1 M Tris.base, 12% PEG 3350, 2% ethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K