8YSE

Crystal structure of the Deinococcus wulumuqiensis CD-NTase DwCdnB in complex with dATP

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	2021-05-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99984
Spacegroup name	P 1
Unit cell lengths	35.355, 46.614, 59.644
Unit cell angles	99.56, 105.81, 100.12

Refinement procedure

Resolution	22.000 - 2.190
R-factor	0.16521
Rwork	0.164
R-free	0.19571
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.403
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.190	2.190
Rmerge	0.019
Number of reflections	17231	1695
<I/σ(I)>	37.853
Completeness [%]	96.2	95.5
Redundancy	2.1	2.2
CC(1/2)		0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	2 % v/v Tacsimate, 0.1 M Bis-Tris pH 6.5, 20 % w/v PEG 3350.