7JIN

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J24 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	112.594, 112.594, 51.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.522 - 2.909
R-factor	0.2224
Rwork	0.221
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.006
RMSD bond angle	0.778
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]	2.900	7.860	2.900
Rmerge	0.159	0.136	1.443
Rmeas	0.168	0.144	1.539
Rpim	0.054	0.048	0.522
Number of reflections	5331	269	268
<I/σ(I)>	8.9
Completeness [%]	99.0	98.9	96.4
Redundancy	10	10.4	7.6
CC(1/2)	1.000	0.939	0.671

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 18 mM MgCl2, 2.25 mM spermine, 0.9 mM CoH18N6, and 4.5% MPD was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock