8YSI

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

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	2021-10-27
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99984
Spacegroup name	P 1
Unit cell lengths	35.375, 46.302, 60.792
Unit cell angles	101.80, 106.80, 95.77

Refinement procedure

Resolution	23.452 - 1.897
Rwork	0.175
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.425
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.897	1.897
Rmerge	0.038
Number of reflections	26575	2733
<I/σ(I)>	21.865
Completeness [%]	94.7
Redundancy	2.4
CC(1/2)		0.983

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.