6XDY

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J7 immobile Holliday junction

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	P 32 2 1
Unit cell lengths	67.780, 67.780, 60.506
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.890 - 3.060
R-factor	0.2409
Rwork	0.240
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.004
RMSD bond angle	0.611
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	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.101	0.083	1.029
Rmeas	0.105	0.086	1.067
Rpim	0.027	0.024	0.270
Number of reflections	3237	187	153
<I/σ(I)>	6.2
Completeness [%]	99.6	97.4	99.4
Redundancy	16.7	15.3	12.4
CC(1/2)	0.865	0.999	0.865

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 20 mM MgCl2, 1.0 mM spermine, 1.0 mM CoH18N6, and 15% Ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock