7JJ2

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J19 immobile Holliday junction with R3 symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	111.986, 111.986, 50.992
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.134 - 3.007
R-factor	0.23
Rwork	0.228
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.004
RMSD bond angle	0.657
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.073	0.049	0.635
Rmeas	0.077	0.052	0.673
Rpim	0.024	0.016	0.217
Number of reflections	4591	229	189
<I/σ(I)>	8.7
Completeness [%]	96.8	96.6	78.8
Redundancy	9.7	10.1	7.8
CC(1/2)	0.979	0.999	0.900

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