2OUR

crystal structure of PDE10A2 mutant D674A in complex with cAMP

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	49.296, 82.285, 153.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.450
Rwork	0.218
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pde10a2 native
RMSD bond length	0.004
RMSD bond angle	1.300
Data reduction software	DENZO
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]	1.450
Rmerge	0.073
Number of reflections	101420
<I/σ(I)>	11.1
Completeness [%]	90.9
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M HEPES, pH 7.5, 0.1 M MgCl2, 100 mM BME, and 13% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K