7LJM

Structure of the Salmonella enterica CD-NTase CdnD in complex with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-08-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	74.473, 69.781, 88.697
Unit cell angles	90.00, 110.35, 90.00

Refinement procedure

Resolution	38.490 - 2.600
R-factor	0.2318
Rwork	0.229
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	EcCdnD
RMSD bond length	0.003
RMSD bond angle	0.657
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.490	2.710
High resolution limit [Å]	2.600	2.600
Rpim	0.135	0.965
Number of reflections	26345	3093
<I/σ(I)>	3.5	1.1
Completeness [%]	99.3
Redundancy	3.5
CC(1/2)	0.985	0.381

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M MES pH 6.5, 25% PEG-3000