7JJW

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J7 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	2019-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	113.715, 113.715, 52.054
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.827 - 3.019
R-factor	0.2144
Rwork	0.210
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.005
RMSD bond angle	0.689
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.142	0.141	0.765
Rmeas	0.150	0.148	0.811
Rpim	0.046	0.046	0.262
Number of reflections	4711	244	241
<I/σ(I)>	9.8
Completeness [%]	95.5	98.4	89.6
Redundancy	9.7	10.4	7.1
CC(1/2)	0.951	0.982	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 6.0 with 10 mM MgCl2, 2.5 mM spermine, 5 mM CaCl2, and 10% isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock