8A5C

Crystal structure of Deinococcus radiodurans Endonuclease III-1 Y100L 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	178.526, 37.827, 36.550
Unit cell angles	90.00, 90.61, 90.00

Refinement procedure

Resolution	44.629 - 1.951
R-factor	0.199
Rwork	0.194
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Endo III-1 wild-type model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_3026)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.629	2.050
High resolution limit [Å]	1.950	1.950
Number of reflections	17563	2766
<I/σ(I)>	9.9
Completeness [%]	97.1
Redundancy	3.2
CC(1/2)	0.997	0.500

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