8YSM

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

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	2022-06-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97626
Spacegroup name	P 1
Unit cell lengths	35.401, 46.765, 64.182
Unit cell angles	105.45, 103.35, 99.33

Refinement procedure

Resolution	23.508 - 1.500
Rwork	0.173
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.445
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.044
Number of reflections	57942	5722
<I/σ(I)>	40.4
Completeness [%]	96.7
Redundancy	6.8
CC(1/2)	1.000	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M BIS-TRIS propane pH 9.0, 30% w/v Polyethylene glycol 6,000.