2OUN

crystal structure of PDE10A2 in complex with AMP

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	2006-03-15
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	51.350, 81.965, 155.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.560
Rwork	0.200
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDE10A2 native
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.560
Rmerge	0.094
Number of reflections	87893
Completeness [%]	93.3
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	The native PDE10A2 crystals were grown against a well buffer of 0.1 M HEPES (pH 7.5), 0.2 M MgCl2, 50 mM beta-mercaptoethanol(BME), and 16% PEG3350. The complex of PDE10A2-AMP was prepared by soaking the crystals in 20 mM cAMP, VAPOR DIFFUSION, HANGING DROP, temperature 277K