7X4G

CD-NTase ClCdnE in complex with substrate 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	CCD
Collection date	2021-05-14
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	I 2 3
Unit cell lengths	132.581, 132.581, 132.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.000 - 2.600
R-factor	0.1699
Rwork	0.168
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x4a
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.081	1.874
Rpim	0.017	0.403
Number of reflections	12099	1180
<I/σ(I)>	50.1	2.1
Completeness [%]	100.0	100
Redundancy	22.5	22.6
CC(1/2)		0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	MgCl2, ADA, PEG 6000, UTP