4MVH

Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor

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	2008-09-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	F 2 3
Unit cell lengths	252.062, 252.062, 252.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.380 - 2.496
R-factor	0.16267
Rwork	0.162
R-free	0.18159
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.883
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.496	2.496
Number of reflections	45251
Completeness [%]	98.4	99.9

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, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K