4YQH

2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	77
Detector technology	PIXEL
Collection date	2009-07-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	50.150, 81.495, 159.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.308
R-factor	0.2395
Rwork	0.236
R-free	0.30070
RMSD bond length	0.009
RMSD bond angle	1.217
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.308
Number of reflections	27707
<I/σ(I)>	16.7
Completeness [%]	94.0
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291	magnesium chloride, PEG3350