37OP

Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing RNA:DNA hybrid insert sequence GAAGAGAAGCAC

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	73.900, 132.915, 130.771
Unit cell angles	90.00, 95.36, 90.00

Refinement procedure

Resolution	47.770 - 3.660
R-factor	0.2601
Rwork	0.259
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.864
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]	47.770	3.790
High resolution limit [Å]	3.660	3.660
Number of reflections	25967	2672
<I/σ(I)>	6.67
Completeness [%]	97.8
Redundancy	3.5
CC(1/2)	0.994	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	40 mM Magnesium acetate, 1.8 M Lithium sulfate, 50 mM MES pH 6.5