7R0T

Crystal structure of exonuclease ExnV1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.6488
Spacegroup name	P 21 2 21
Unit cell lengths	42.279, 54.110, 171.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.780 - 2.194
R-factor	0.2366
Rwork	0.234
R-free	0.27840
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	2.260
High resolution limit [Å]	2.190	2.190
Rmerge	0.136	3.187
Rmeas	0.141	3.325
Rpim	0.040	0.935
Number of reflections	20566	1650
<I/σ(I)>	12.5	1.1
Completeness [%]	98.1
Redundancy	12.7
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.3	277	0.1 M Bicine pH 9.3 30 % PEG Smear Low