9ILD

Complex structure of Cap3 and CD-NTase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	52.051, 54.843, 59.606
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.206 - 2.179
R-factor	0.2333
Rwork	0.228
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.477
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.206	2.300
High resolution limit [Å]	2.179	2.179
Rmerge	0.117	0.839
Number of reflections	9260	1210
<I/σ(I)>	13.1
Completeness [%]	98.5
Redundancy	13.1
CC(1/2)	0.997	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M NH4Ac, 0.1 M NaAc (pH 4.6) and 30% PEG 4000