7JI5

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J36 immobile Holliday junction with R3 symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	H 3
Unit cell lengths	112.705, 112.705, 50.618
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.499 - 2.702
R-factor	0.2311
Rwork	0.229
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.006
RMSD bond angle	0.781
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.076	0.077	1.022
Rmeas	0.080	0.081	1.084
Rpim	0.025	0.025	0.354
Number of reflections	6544	323	328
<I/σ(I)>	9.8
Completeness [%]	99.7	99.7	98.8
Redundancy	10.2	10.5	8.8
CC(1/2)	0.924	0.981	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 7.0 with 18 mM MgCl2, 2.25 mM spermine, 0.9 mM CoH18N6, and 4.5% MPD was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock