6XFD

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J20 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 2 1
Unit cell lengths	67.551, 67.551, 60.397
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.776 - 3.101
R-factor	0.2259
Rwork	0.223
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.004
RMSD bond angle	0.604
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	0.126	0.110	0.829
Rmeas	0.130	0.114	0.858
Rpim	0.033	0.031	0.214
Number of reflections	3074	175	149
<I/σ(I)>	6.1
Completeness [%]	99.3	98.3	95.5
Redundancy	17.7	16.6	11.8
CC(1/2)	1.000	0.996	0.946

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 36 mM MgCl2, 2.25 mM spermine, and 5% PEG 400 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock