3QPO

Structure of PDE10-inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	120.451, 120.451, 82.061
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.180 - 1.800
R-factor	0.2069
Rwork	0.204
R-free	0.23640
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.018
RMSD bond angle	1.592
Data scaling software	d*TREK (8.0SSI)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.550	38.180	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.090	0.047	0.389
Total number of observations		24650	17028
Number of reflections	42514
<I/σ(I)>	9.7	26	3.2
Completeness [%]	100.0	100	100
Redundancy	5.34	5.6	4.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1