5Y5Q

Crystal structure of the WSSV dUTPase D88N/R158E mutant in complex with dUTP

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	2015-12-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	59.574, 75.527, 113.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.840 - 1.560
R-factor	0.174
Rwork	0.173
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y5p
RMSD bond length	0.010
RMSD bond angle	1.050
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]	113.321	1.574
High resolution limit [Å]	1.560	1.560
Rmerge	0.060	1.133
Rpim	0.016	0.315
Number of reflections	71914	1449
<I/σ(I)>	26.8
Completeness [%]	97.9	78.3
Redundancy	14.5	13.6
CC(1/2)	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% (w/v) PEG 1500