7JIM

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J26 immobile Holliday junction with R3 symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	112.088, 112.088, 51.133
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.240 - 3.015
R-factor	0.2294
Rwork	0.226
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.005
RMSD bond angle	0.680
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	0.158	0.111	1.184
Rmeas	0.166	0.117	1.283
Rpim	0.053	0.036	0.475
Number of reflections	4461	235	147
<I/σ(I)>	4.3
Completeness [%]	94.9	100	64.2
Redundancy	8.4	11	5.3
CC(1/2)	0.931	0.986	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M HEPES pH 7.5 with 15 mM MgCl2, 1.0 mM spermidine, and 10% dioxane was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock