38EP

Isoreticular co-crystal 1 with asymmetrical expanded duplex containing insert sequence GACGGCCCGG and Y184E mutation

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	2025-06-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	I 1 2 1
Unit cell lengths	73.329, 129.131, 131.221
Unit cell angles	90.00, 91.83, 90.00

Refinement procedure

Resolution	46.010 - 3.560
R-factor	0.2654
Rwork	0.261
R-free	0.31030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.801
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.360	3.900
High resolution limit [Å]	3.560	3.560
Number of reflections	14077	3418
<I/σ(I)>	4.5
Completeness [%]	95.8	97.9
Redundancy	3.6
CC(1/2)	0.997	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	30 mM Magnesium acetate, 1.5 M Lithium sulfate, 50 mM MES pH 6.5