24OK

Crystal structure of human dUTPase complexed with Zinc.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 3
Unit cell lengths	84.253, 84.253, 84.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.691 - 2.010
Rwork	0.212
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.297
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.691	2.060
High resolution limit [Å]	2.010	2.010
Number of reflections	13576	988
<I/σ(I)>	19.5	1.1
Completeness [%]	100.0
Redundancy	19.4
CC(1/2)	0.998	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Crystal condition: 0.09M 1,6-Hexanediol, 1-Butanol, 1,2-Propanediol, 2-Propanol, 1,4-Butanediol, 1,3-Propanediol. 0.1M Tris (base), BICINE. 30% v/v Glycerol, PEG 4000. (Morpheus D3) Seeded with: 0.2M Zinc Acetate, 0.1M Sodium cacodylate, 10% v/v 2-Propanol, pH 6.5 (JCSG E7)