6WSZ

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J24 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	68.458, 68.458, 60.214
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.246 - 3.053
R-factor	0.2394
Rwork	0.238
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.004
RMSD bond angle	0.602
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	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.078	0.048	0.688
Rmeas	0.082	0.051	0.735
Rpim	0.026	0.017	0.252
Number of reflections	5010	289	147
<I/σ(I)>	6.6
Completeness [%]	85.1	99	47.9
Redundancy	9.4	10.4	7.1
CC(1/2)	0.977	0.999	0.864

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 with 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