8A5F

Crystal structure of Deinococcus radiodurans Endonuclease III-1 R61Q variant

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	179.318, 38.040, 36.353
Unit cell angles	90.00, 90.96, 90.00

Refinement procedure

Resolution	44.823 - 1.380
R-factor	0.1521
Rwork	0.151
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Endo III-1 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]	44.823	1.470
High resolution limit [Å]	1.380	1.380
Number of reflections	50163	8090
<I/σ(I)>	8.9
Completeness [%]	98.9
Redundancy	2.9
CC(1/2)	0.990	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M bicine pH 9.0, 30% (w/v) PEG 500 MME and 0.1 M sodium chloride