7JOH

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J31 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	2017-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 32
Unit cell lengths	68.759, 68.759, 55.211
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.380 - 4.195
R-factor	0.2057
Rwork	0.205
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.004
RMSD bond angle	0.621
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	4.270
High resolution limit [Å]	4.195	11.360	4.200
Rmerge	0.082	0.064	0.880
Rmeas	0.089	0.071	0.944
Rpim	0.033	0.029	0.336
Number of reflections	2053	99	87
<I/σ(I)>	4.9
Completeness [%]	95.7	93.4	80.6
Redundancy	7.7	6.4	7.3
CC(1/2)	1.000	0.990	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 6.0 with 200 mM, Ca(CH3COO)2, and 2.5 M NaCl was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock