7JP6

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J20 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	2017-12-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.074, 68.074, 56.063
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.037 - 3.087
R-factor	0.2618
Rwork	0.261
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.006
RMSD bond angle	0.691
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]	3.087	8.400	3.100
Rmerge	0.068	0.032	0.373
Rmeas	0.073	0.035	0.403
Rpim	0.026	0.013	0.148
Number of reflections	4830	269	172
<I/σ(I)>	11.5
Completeness [%]	90.3	97.8	62.5
Redundancy	7.1	7.3	5.6
CC(1/2)	0.993	0.998	0.958

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 30 mM MgCl2, 1.0 mM spermine, and 1.3 M Li2SO4 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock