6WT0

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J25 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	2019-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 32
Unit cell lengths	68.948, 68.948, 59.418
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.474 - 3.106
R-factor	0.2488
Rwork	0.247
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.005
RMSD bond angle	0.668
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]	34.474	50.000	3.150
High resolution limit [Å]	3.106	8.400	3.106
Rmerge	0.132	0.086	1.151
Rmeas	0.149	0.097	1.366
Rpim	0.069	0.045	0.628
Number of reflections	5302	288	190
<I/σ(I)>	5
Completeness [%]	92.7	99.3	64.8
Redundancy	4.3	4.7	3.5
CC(1/2)		0.936	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M TRIS pH 8.0 with 10 mM MgCl2, 1.0 mM CoH18N6, and 20% Ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock