5Y5P

Crystal structure of the dUTPase of white spot syndrome virus in complex with dU,PPi and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	88.129, 57.266, 110.795
Unit cell angles	90.00, 95.67, 90.00

Refinement procedure

Resolution	40.600 - 2.030
R-factor	0.195
Rwork	0.194
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y5o
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	autoPROC (1.0.4)
Data scaling software	autoPROC (1.0.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.698	2.043
High resolution limit [Å]	2.026	2.026
Rmerge	0.084	0.828
Rpim	0.034	0.339
Number of reflections	71757	1805
<I/σ(I)>	15.9	2.9
Completeness [%]	99.7	98.7
Redundancy	7.3	7
CC(1/2)	0.998	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	293	0.1 M Tris HCl pH 8.1, 28% (w/v) PEG 3350,0.2 M sodium acetate