6X8B

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J6 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
Unit cell lengths	68.848, 68.848, 59.374
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.781 - 2.899
R-factor	0.239
Rwork	0.238
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.005
RMSD bond angle	0.727
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	2.950
High resolution limit [Å]	2.899	7.860	2.900
Rmerge	0.125	0.138	1.009
Rmeas	0.133	0.147	1.073
Rpim	0.044	0.050	0.354
Number of reflections	6565	354	222
<I/σ(I)>	7.5
Completeness [%]	93.8	99.4	64.5
Redundancy	9.8	10.2	8
CC(1/2)	0.997	0.946	0.770

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 18 mM MgCl2, 2.25 mM spermine, and 9% isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock