4ZO5

PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	51.070, 81.380, 159.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 2.500
R-factor	0.2407
Rwork	0.238
R-free	0.28500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2oun
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BUSTER
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	21936
<I/σ(I)>	21.1
Completeness [%]	92.0
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100mM HEPES pH 7.0, 20% PEG3350, 200mM MgCl2, and 10mM 2-Mercaptoethanol