7THB

Crystal structure of an RNA-5'/DNA-3' strand exchange junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.116
Spacegroup name	P 1
Unit cell lengths	37.025, 43.586, 52.182
Unit cell angles	92.06, 103.72, 99.95

Refinement procedure

Resolution	35.340 - 1.640
R-factor	0.2391
Rwork	0.237
R-free	0.28410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	see methods in primary citation
RMSD bond length	0.014
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	STARANISO (3.339)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.340	35.335	1.781
High resolution limit [Å]	1.637	5.089	1.637
Rmerge	0.037	0.028	1.293
Rmeas	0.041	0.031	1.410
Rpim	0.016	0.013	0.556
Number of reflections	24808	1240	1240
<I/σ(I)>	15.641	44.8	1.5
Completeness [%]	64.7	97.7	14.5
Redundancy	6	5.7	6.3
CC(1/2)	0.999	0.999	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	293	0.5 uL of sample was combined with 0.5 uL reservoir solution (0.05 M sodium succinate (pH 5.3), 0.5 mM spermine, 20 mM magnesium chloride, 2.6 M ammonium sulfate) over 500 uL reservoir solution.