38EX

Isoreticular co-crystal 1 with symmetrical expanded duplex (31mer) containing insert sequence CCCGGCCGGA with poly-T tail

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	2025-05-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	98.476, 98.476, 233.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 3.740
R-factor	0.3412
Rwork	0.340
R-free	0.35400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.552
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_5330)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.240	4.180
High resolution limit [Å]	3.740	3.740
Number of reflections	12560	3472
<I/σ(I)>	6.3
Completeness [%]	99.8
Redundancy	12.8
CC(1/2)	0.999	0.309

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	30mM magnesium acetate, 1.3M lithium sulfate, 50mM MES pH 6.5.