5Y5O

Crystal structure of the dUTPase of white spot syndrome virus in the apo state

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	2015-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	94.230, 97.290, 107.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.610 - 2.400
R-factor	0.217
Rwork	0.215
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c3i
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS (VERSION May 1, 2016)
Data scaling software	XDS (VERSION May 1, 2016)
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.037	2.459
High resolution limit [Å]	2.403	2.403
Rmerge	0.064	0.307
Rpim		0.151
Number of reflections	36602	2021
<I/σ(I)>	18.6	5.3
Completeness [%]	93.4	78.2
Redundancy	6.7	4.9
CC(1/2)		0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% (w/v) PEG 1500