2OUS

crystal structure of PDE10A2 mutant D674A

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	51.363, 82.034, 155.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.450
Rwork	0.209
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDE10A2 native
RMSD bond length	0.007
RMSD bond angle	1.300
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]	1.450
Rmerge	0.077
Number of reflections	101832
<I/σ(I)>	8.9
Completeness [%]	94.4
Redundancy	10.1

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