2OUP

crystal structure of PDE10A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-15
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	51.076, 82.036, 155.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.560
Rwork	0.197
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDE4D2
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.560
Rmerge	0.067
Number of reflections	85847
<I/σ(I)>	9.7
Completeness [%]	91.6
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M HEPES (pH 7.5), 0.2 M MgCl2, 50 mM beta-mercaptoethanol(BME), and 16% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K