7JLE

Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J23 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	114.257, 114.257, 51.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.666 - 3.017
R-factor	0.205
Rwork	0.204
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.008
RMSD bond angle	0.881
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	0.102	0.099	0.667
Rmeas	0.107	0.105	0.705
Rpim	0.034	0.034	0.225
Number of reflections	4894	244	255
<I/σ(I)>	8.7
Completeness [%]	99.7	98.4	100
Redundancy	10.4	10.6	9.3
CC(1/2)	1.000	0.989	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of0.05 M HEPES pH 7.5 with 80 mM MgCl2 and 2.5 mM spermine was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock