7X4A

Native CD-NTase ClCdnE

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	2021-05-12
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	I 2 3
Unit cell lengths	132.113, 132.113, 132.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.970 - 2.210
R-factor	0.1598
Rwork	0.157
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e0m
RMSD bond length	0.009
RMSD bond angle	0.972
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.087	0.617
Rpim	0.019	0.150
Number of reflections	19381	1920
<I/σ(I)>	38.9	5.5
Completeness [%]	100.0	100
Redundancy	21.2	17.7
CC(1/2)	0.988	0.951

Crystallization Conditions

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