7X4P

CD-NTase EfCdnE in complex with intermediate pppUpU

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	2021-11-02
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	41.332, 56.777, 64.780
Unit cell angles	90.00, 97.24, 90.00

Refinement procedure

Resolution	27.960 - 1.600
R-factor	0.1507
Rwork	0.149
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x4c
RMSD bond length	0.009
RMSD bond angle	1.059
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.035	0.068
Rpim	0.021	0.040
Number of reflections	38096	3716
<I/σ(I)>	33.1	18.9
Completeness [%]	96.6	95
Redundancy	3.9	3.9
CC(1/2)		0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	sodium tartrate, PEG 3350, MgCl2, UTP