6WSS

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J15 immobile Holliday junction

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	2018-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 32
Unit cell lengths	68.758, 68.758, 60.915
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.379 - 3.001
R-factor	0.2494
Rwork	0.248
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.005
RMSD bond angle	0.633
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	0.084	0.092	0.610
Rmeas	0.089	0.099	0.645
Rpim	0.029	0.034	0.205
Number of reflections	6272	332	235
<I/σ(I)>	6.5
Completeness [%]	97.3	100	73.7
Redundancy	9.9	10.6	8.4
CC(1/2)	0.896	0.884	0.925

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