4P1R

Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-06-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5
Spacegroup name	F 2 3
Unit cell lengths	252.971, 252.971, 252.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 2.243
R-factor	0.1545
Rwork	0.153
R-free	0.18880
RMSD bond length	0.009
RMSD bond angle	1.307
Refinement software	PHENIX ((phenix.refine: dev_1589))

Data quality characteristics

	Overall
Low resolution limit [Å]	29.810
High resolution limit [Å]	2.240
Number of reflections	63795
<I/σ(I)>	12.39
Completeness [%]	99.9
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	1.6M Ammonium Sulfate, 0.1M MES monohydrate, 10% v/v 1,4-Dioxane