6WSQ

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J10 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	68.820, 68.820, 62.024
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.410 - 2.807
R-factor	0.2452
Rwork	0.243
R-free	0.29190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.007
RMSD bond angle	0.859
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	3.100
High resolution limit [Å]	2.807	8.270	3.050
Rmerge	0.117	0.100	1.389
Rmeas	0.122	0.105	1.440
Rpim	0.033	0.031	0.373
Number of reflections	4280	185	158
<I/σ(I)>	10.3
Completeness [%]	99.6	95.9	100
Redundancy	15.3	13.7	12.4
CC(1/2)	0.921	0.947	0.899

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, 30 mM MgCl2, 2.5 mM spermine, and 5% PEG 400 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock