8BAS

E. coli C7 DarT1 in complex with carba-NAD and DNA

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	2022-05-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976292
Spacegroup name	P 43 21 2
Unit cell lengths	61.903, 61.903, 215.547
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.568 - 1.920
Rwork	0.170
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7omz
RMSD bond length	0.012
RMSD bond angle	2.035
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]	61.900	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.167	2.472
Rmeas	0.177	2.606
Rpim	0.057	0.818
Number of reflections	33191	2151
<I/σ(I)>	8.3	0.9
Completeness [%]	100.0	100
Redundancy	9.4	9.8
CC(1/2)	0.998	0.501

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