6XEK

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J14 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	2018-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 32 2 1
Unit cell lengths	68.908, 68.908, 62.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.850
R-factor	0.2422
Rwork	0.241
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.011
RMSD bond angle	1.843
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.680	50.000	2.900
High resolution limit [Å]	2.850	7.730	2.850
Rmerge	0.076	0.072	0.746
Rmeas	0.079	0.075	0.766
Rpim	0.019	0.020	0.171
Number of reflections	4213	231	212
<I/σ(I)>	8.7
Completeness [%]	99.8	95.9	100
Redundancy	19.1	16.6	19.4
CC(1/2)	0.917	0.942	0.916

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