6WST

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J16 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	2018-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 32
Unit cell lengths	68.988, 68.988, 61.305
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.062 - 3.055
R-factor	0.2178
Rwork	0.213
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.010
RMSD bond angle	0.994
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]	3.050	8.270	3.050
Rmerge	0.118	0.109	0.757
Rmeas	0.125	0.116	0.805
Rpim	0.040	0.038	0.268
Number of reflections	5999	312	221
<I/σ(I)>	5.9
Completeness [%]	96.9	99.4	75.9
Redundancy	9.1	10.1	7
CC(1/2)	1.000	0.982	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 6.5 with 18 mM MgCl2, 2.25 mM spermine, and 9% Isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock