7JHS

Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J5 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	2017-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	H 3
Unit cell lengths	114.779, 114.779, 49.623
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.116 - 3.096
R-factor	0.2602
Rwork	0.259
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.005
RMSD bond angle	0.740
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	3.150
High resolution limit [Å]	3.096	8.400	3.100
Rmerge	0.119	0.132	0.594
Rmeas	0.125	0.138	0.634
Rpim	0.038	0.041	0.216
Number of reflections	4170	221	121
<I/σ(I)>	5.4
Completeness [%]	94.0	100	65.8
Redundancy	9.3	10.7	6
CC(1/2)	0.972	0.932	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 6.5 with 10 mM MgCl2, 2.5 mM spermine, 1 mM CuSO4, and 10% Isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock