8YSL

Crystal structure of the Deinococcus wulumuqiensis CD-NTase DwCdnB in complex with UTP and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-26
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00000
Spacegroup name	P 1
Unit cell lengths	35.269, 46.118, 60.466
Unit cell angles	74.95, 73.03, 84.42

Refinement procedure

Resolution	26.590 - 1.980
R-factor	0.1655
Rwork	0.162
R-free	0.20030
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	HKL-2000
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.042
Number of reflections	23777	2356
<I/σ(I)>	20.293
Completeness [%]	97.0
Redundancy	2.4
CC(1/2)		0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Potassium thiocyanate, 30% w/v Polyethylene glycol monomethyl ether 2,000.