6WRA

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J34 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
Unit cell lengths	68.810, 68.810, 59.712
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.000
R-factor	0.2079
Rwork	0.206
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.131	0.138	0.747
Rmeas	0.144	0.152	0.825
Rpim	0.059	0.063	0.343
Number of reflections	6287	324	281
<I/σ(I)>	8.8
Completeness [%]	99.4	98.8	95.6
Redundancy	5.8	6	4.7
CC(1/2)	0.911	0.938	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M HEPES pH 7.5 with 20 mM MgCl2, 1.0 mM spermine, and 5% PEG 8000 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock