3HR1

Discovery of novel inhibitors of PDE10A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Rigaku FRE
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	H 3
Unit cell lengths	120.660, 120.660, 83.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.250 - 1.530
R-factor	0.186
Rwork	0.184
R-free	0.21100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2o8h
RMSD bond length	0.012
RMSD bond angle	1.179
Data scaling software	d*TREK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.250	1.590
High resolution limit [Å]	1.530	1.530
Number of reflections	57998
Completeness [%]	85.4	17.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1
1