6WSO

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J8 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	68.883, 68.883, 59.847
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.851 - 3.106
R-factor	0.2001
Rwork	0.199
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.010
RMSD bond angle	0.962
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	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.098	0.087	0.792
Rmeas	0.103	0.092	0.842
Rpim	0.032	0.029	0.279
Number of reflections	5407	286	191
<I/σ(I)>	6.3
Completeness [%]	94.0	97.9	62.2
Redundancy	9.4	10.1	7.6
CC(1/2)	0.857	0.984	0.856

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