6XEJ

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J10 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	2017-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	68.820, 68.820, 62.024
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.410 - 2.807
R-factor	0.2327
Rwork	0.232
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.011
RMSD bond angle	1.259
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	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.087	0.077	1.100
Rmeas	0.091	0.081	1.148
Rpim	0.027	0.026	0.327
Number of reflections	4339	219	204
<I/σ(I)>	13.2
Completeness [%]	98.5	85.9	100
Redundancy	11.3	9.5	11.7
CC(1/2)	0.921	0.987	0.817

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, 30 mM MgCl2, 2.5 mM spermine, and 5% PEG 400 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock