4DDL

PDE10a Crystal Structure Complexed with Novel 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	2012-01-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	F 2 3
Unit cell lengths	252.964, 252.964, 252.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.070
R-factor	0.18619
Rwork	0.186
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.314
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.060
Number of reflections	80952
Completeness [%]	99.2

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