7JIQ

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J21 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	2018-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	H 3
Unit cell lengths	113.383, 113.383, 51.305
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.060
R-factor	0.1907
Rwork	0.190
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
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]	56.690	50.000	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.074	0.079	0.703
Rmeas	0.079	0.084	0.743
Rpim	0.025	0.027	0.237
Number of reflections	4622	228	215
<I/σ(I)>	7.4
Completeness [%]	99.2	98.7	94.7
Redundancy	10.2	10.5	8.2
CC(1/2)	0.983	0.966	0.933

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