5C28

PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-pyrimidin-4-amine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	49.650, 82.040, 152.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.840 - 1.560
R-factor	0.1717
Rwork	0.170
R-free	0.19560
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.620
High resolution limit [Å]	1.560	3.360	1.560
Rmerge	0.051	0.031	0.327
Total number of observations	548846
Number of reflections	88979
<I/σ(I)>	15.2
Completeness [%]	98.7	99.6	93.9
Redundancy	6.2	6.9	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100mM HEPES, 20% PEG3350, 200mM MgCl2, and 10mM 2-Mercaptoethanol