5UWF

Crystal structure of human PDE10A in complex with inhibitor 16d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	49.718, 81.239, 158.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.396 - 1.870
R-factor	0.1908
Rwork	0.189
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c2h
RMSD bond length	0.006
RMSD bond angle	0.839
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.400	1.910
High resolution limit [Å]	1.870	1.870
Rmerge	0.100	0.782
Rpim	0.039	0.309
Number of reflections	54103	3463
<I/σ(I)>	11.9	2.4
Completeness [%]	100.0	100
Redundancy	7.4	7.4
CC(1/2)	0.998	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	15%PEG3350,0.2M calcium acetate,20mM BME