7T2S

Structure of E. coli upec-117 Cap18 3'-5' exonuclease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791, 0.9195
Spacegroup name	P 61 2 2
Unit cell lengths	98.992, 98.992, 97.367
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.730 - 1.820
R-factor	0.2236
Rwork	0.222
R-free	0.25160
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.370	1.860
High resolution limit [Å]	1.820	1.820
Rmerge	0.085	1.039
Rmeas	0.088	1.062
Rpim	0.020	0.242
Number of reflections	25945	1491
<I/σ(I)>	27.5	3.4
Completeness [%]	99.9	98.9
Redundancy	19.3	18.7
CC(1/2)	0.999	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20mM Tris-HCl pH 7.5, 0.2M Li Sulfate, 0.1M Na Acetate, 0.1M HEPES pH 7.5, and 17% PEG 4000