9KL1

Crystal structure of DNA/RNA duplex obtained using the counter diffusion method in space (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	2023-02-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 61
Unit cell lengths	49.015, 49.015, 45.706
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.100 - 1.600
R-factor	0.1972
Rwork	0.196
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.032
RMSD bond angle	1.228
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	1.700
High resolution limit [Å]	1.600	5.000	1.600
Rmerge	0.027	0.019	0.328
Rmeas	0.030	0.021	0.365
Number of reflections	8323	284	1353
<I/σ(I)>	26.02
Completeness [%]	99.7
Redundancy	5.2
CC(1/2)	1.000	0.999	0.949

Crystallization Conditions

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