8YSR

Crystal structure of the Deinococcus wulumuqiensis CD-NTase DwCdnB in complex with hexatungstotellurate(VI) TEW

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)	1.21366
Spacegroup name	P 1
Unit cell lengths	35.367, 46.798, 60.374
Unit cell angles	100.48, 104.89, 100.13

Refinement procedure

Resolution	25.580 - 2.040
R-factor	0.18402
Rwork	0.181
R-free	0.21548
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.397
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.120
High resolution limit [Å]	2.040	2.040
Rmerge	0.100
Number of reflections	21801	2159
<I/σ(I)>	24.636
Completeness [%]	96.9
Redundancy	6.5
CC(1/2)		0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Ammonium acetate, 0.1 M Tris pH 8.0, 16% w/v Polyethylene glycol 10,000.