7JOL

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J24 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.1
Spacegroup name	P 32
Unit cell lengths	68.104, 68.104, 57.304
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.052 - 3.114
R-factor	0.2482
Rwork	0.248
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.007
RMSD bond angle	0.868
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	0.115	0.057	0.617
Rmeas	0.125	0.061	0.676
Rpim	0.047	0.023	0.268
Number of reflections	4353	263	131
<I/σ(I)>	7.3
Completeness [%]	81.8	97.4	50
Redundancy	6.1	7.4	4
CC(1/2)	0.997	0.995	0.861

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 15 mM MgCl2, 5.0 mM spermidine, and 2.0 M Li2SO4 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock