8YSO

Crystal structure of the Deinococcus wulumuqiensis CD-NTase DwCdnB Ear-cut mutant in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	49.331, 72.832, 100.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.973 - 1.680
Rwork	0.171
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.381
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.058
Number of reflections	42038	3941
<I/σ(I)>	47.067
Completeness [%]	99.4
Redundancy	12
CC(1/2)		0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Bis-Tris pH 6.5, 0.2 M Sodium fluoride, 23 % w/v PEG 3350.