9YZJ

Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing insert sequence CGTAATTAGG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	73.782, 132.646, 126.768
Unit cell angles	90.00, 90.26, 90.00

Refinement procedure

Resolution	46.010 - 2.970
R-factor	0.2741
Rwork	0.272
R-free	0.29170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.016
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.010	3.150
High resolution limit [Å]	2.970	2.970
Rmerge	0.065	1.102
Rmeas	0.078	1.301
Rpim	0.042	0.684
Number of reflections	24810	4023
<I/σ(I)>	11.4	1
Completeness [%]	98.4	99
Redundancy	3.5	3.5
CC(1/2)	0.998	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	30 mM Magnesium acetate, 1.7 M Lithium sulfate, 50 mM MES pH 6.5