8YSC

Crystal structure of the Deinococcus wulumuqiensis CD-NTase DwCdnB in complex with ATP (form 1)

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	2021-05-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99984
Spacegroup name	P 1
Unit cell lengths	35.343, 46.559, 59.780
Unit cell angles	99.69, 106.07, 99.37

Refinement procedure

Resolution	28.000 - 2.250
R-factor	0.17078
Rwork	0.169
R-free	0.21217
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.387
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.018
Number of reflections	15717	1614
<I/σ(I)>	41.309
Completeness [%]	94.2	95.8
Redundancy	2.1	2.1
CC(1/2)		0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M BIS-TRIS pH 5.5, 25 % w/v PEG 3350