6HDE

Structure of Escherichia coli dUTPase Q93H mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-08
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 21
Unit cell lengths	63.200, 66.500, 95.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.811 - 1.820
R-factor	0.1826
Rwork	0.181
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rn8
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.811	1.850
High resolution limit [Å]	1.800	1.800
Rmeas	0.043
Number of reflections	36491
<I/σ(I)>	21.02
Completeness [%]	99.3
Redundancy	4.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	0.1 M Tris pH 7.5, 400 mM NaAcetate, 28% PEG 3350, 1.25 mM dUPNPP