8A5G

Crystal structure of Deinococcus radiodurans Endonuclease III-3 double mutant

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	2017-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	C 1 2 1
Unit cell lengths	90.345, 38.827, 71.988
Unit cell angles	90.00, 99.71, 90.00

Refinement procedure

Resolution	44.500 - 1.890
R-factor	0.2435
Rwork	0.238
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Endo III-3 wild-type
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (dev_3026)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.500	1.990
High resolution limit [Å]	1.890	1.890
Number of reflections	19937	3111
<I/σ(I)>	13.7
Completeness [%]	99.1
Redundancy	3.3
CC(1/2)	0.990	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M ammonium formate and 2.2 M ammonium sulfate