9NTO

Structure of Cap9-CdnD complex containing NDG modification

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	92.664, 58.219, 89.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.150 - 2.150
R-factor	0.2063
Rwork	0.205
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.565
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.150	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.300	2.042
Rmeas	0.320	2.172
Rpim	0.110	0.733
Number of reflections	25975	2661
<I/σ(I)>	6.32
Completeness [%]	96.4	100
Redundancy	8.2	8.5
CC(1/2)	0.993	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	0.1 M Tris-HCl pH 8.5, 24% PEG-3350, 5 mM MgCl2, 1 mM AMP