7JLA

Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J16 immobile Holliday junction with R3 symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	113.310, 113.310, 51.478
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.516 - 3.000
R-factor	0.22
Rwork	0.218
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.005
RMSD bond angle	0.737
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]	2.987	8.130	3.000
Rmerge	0.086	0.063	0.663
Rmeas	0.090	0.066	0.706
Rpim	0.029	0.021	0.236
Number of reflections	4978	248	231
<I/σ(I)>	7
Completeness [%]	99.5	100	92.8
Redundancy	9.7	11.3	7.5
CC(1/2)	1.000	0.995	0.825

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