5NYZ

Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97921
Spacegroup name	P 21 3
Unit cell lengths	87.270, 87.270, 87.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.710 - 2.500
R-factor	0.22853
Rwork	0.226
R-free	0.28055
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zez
RMSD bond length	0.006
RMSD bond angle	1.140
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.270	2.600
High resolution limit [Å]	2.500	2.500
Rpim	0.038	0.573
Number of reflections	7924	882
<I/σ(I)>	15.4	2
Completeness [%]	100.0	100
Redundancy	18	18.1
CC(1/2)	0.898	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	296	20% Ethanol; 10% Glicerol