3QPP

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	120.616, 120.616, 84.008
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.310 - 1.800
R-factor	0.1857
Rwork	0.184
R-free	0.21050
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.259
Data scaling software	d*TREK (8.0SSI)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.940	60.310	1.770
High resolution limit [Å]	1.710	3.680	1.710
Rmerge	0.102	0.085	0.374
Total number of observations		27998	24671
Number of reflections	49243
<I/σ(I)>	8.6	17.4	3.1
Completeness [%]	100.0	100	99.8
Redundancy	5.35	5.46	5.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1