2PW3

Structure of the PDE4D-cAMP complex

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	2006-03-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	57.849, 81.000, 163.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.560
Rwork	0.212
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	the wild type PDE4D2
RMSD bond length	0.004
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.620
High resolution limit [Å]	1.560	1.560
Rmerge	0.072	0.431
Number of reflections	108849
<I/σ(I)>	10.5	2.4
Completeness [%]	98.9	90
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	well buffer of 0.1 M HEPES pH 7.5, 0.1 M MgCl2, 12% PEG3350, 30% ethylene glycol, and 10% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K