1RKP

Crystal structure of PDE5A1-IBMX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	74.456, 74.456, 130.132
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.050
Rwork	0.220
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDE4D2
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge		0.475
Number of reflections	27018
<I/σ(I)>	13.4	4.9
Completeness [%]	100.0	100
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		0.1M tris-hcl, 17% PEG 3350, 0.2M MgSO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K