9KKZ

Crystal structure of DNA/RNA duplex obtained using the counter diffusion method on Earth (Na form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 61
Unit cell lengths	48.843, 48.843, 45.761
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.060 - 1.500
R-factor	0.1946
Rwork	0.193
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.056
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.100	31.100	1.600
High resolution limit [Å]	1.500	5.000	1.500
Rmerge	0.026	0.021	0.230
Rmeas	0.029	0.024	0.256
Number of reflections	10053	282	1766
<I/σ(I)>	27.78
Completeness [%]	99.9
Redundancy	5
CC(1/2)	0.999	0.999	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		293.15	sodium chloride, MPD, spermine 4HCl, MES