8UX2

Chromobacterium violaceum mono-ADP-ribosyltransferase CteC in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	57.656, 82.937, 151.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.470 - 1.870
R-factor	0.1931
Rwork	0.192
R-free	0.22720
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.070
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.470	1.938
High resolution limit [Å]	1.870	1.870
Number of reflections	60539	5877
<I/σ(I)>	22.18	2.57
Completeness [%]	99.8
Redundancy	11.5
CC(1/2)	0.978	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.25M calcium acetate, 20% PEG 3000