5C1W

PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
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	49.430, 81.850, 153.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.060 - 1.700
R-factor	0.204
Rwork	0.203
R-free	0.22920
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	1.700	4.520	2.100
Rmerge	0.054	0.024	0.532
Total number of observations	189625
Number of reflections	69305
<I/σ(I)>	14.9
Completeness [%]	87.9	96.3	82.6
Redundancy	5.6	5.7	5.5

Crystallization Conditions

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