8YSK

Crystal structure of the Deinococcus wulumuqiensis CD-NTase DwCdnB in complex with UTP 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	35.274, 46.091, 59.889
Unit cell angles	101.14, 106.90, 95.43

Refinement procedure

Resolution	23.245 - 1.984
Rwork	0.167
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.352
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.060
High resolution limit [Å]	1.984	1.984
Number of reflections	23181	2212
<I/σ(I)>	25
Completeness [%]	96.4
Redundancy	6.6
CC(1/2)	0.997	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M MOPS pH 6.5, 20% w/v Polyethylene glycol 4,000.