2OUQ

crystal structure of PDE10A2 in complex with GMP

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	49.829, 81.931, 156.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
Rwork	0.213
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDE10A2 native
RMSD bond length	0.005
RMSD bond angle	1.200
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]	1.900
Rmerge	0.071
Number of reflections	48795
<I/σ(I)>	7.9
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	soaked the PDE10A2 crystals in 30 mM cGMP in a buffer of 16% PEG8000, 0.1 M HEPES (pH 7.5), 0.1 M MgCl2, 60 mM BME for 1.5 hours, VAPOR DIFFUSION, HANGING DROP, temperature 277K