8YSD

Crystal structure of the Deinococcus wulumuqiensis CD-NTase DwCdnB in complex with ATP (form 2)

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)	0.99984
Spacegroup name	P 1
Unit cell lengths	35.387, 46.809, 59.976
Unit cell angles	99.96, 105.81, 99.54

Refinement procedure

Resolution	28.080 - 1.610
R-factor	0.189
Rwork	0.188
R-free	0.21390
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	1.670
High resolution limit [Å]	1.610	1.610
Rmerge	0.142
Number of reflections	44348	4353
<I/σ(I)>	22.146
Completeness [%]	96.2	95.1
Redundancy	4.3	4.4
CC(1/2)		0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Bis-Tris pH 6.5, 25 % w/v PEG 3350