8BAR

E. coli C7 DarT1 in complex with ADP-ribosylated ssDNA and nicotinamide

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	2022-05-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976277
Spacegroup name	P 43 21 2
Unit cell lengths	61.759, 61.759, 215.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.832 - 1.630
Rwork	0.155
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7omz
RMSD bond length	0.012
RMSD bond angle	1.889
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.740	1.660
High resolution limit [Å]	1.630	1.630
Rmerge	0.072	1.581
Rmeas	0.076	1.677
Rpim	0.025	0.551
Number of reflections	53204	2567
<I/σ(I)>	14	1.3
Completeness [%]	100.0	100
Redundancy	9	9
CC(1/2)	0.999	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	4.0 M Sodium formate, 0.1 M Tris pH 7.5