6WR3

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J36 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	2018-04-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.92
Spacegroup name	P 32
Unit cell lengths	68.816, 68.816, 60.564
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.408 - 3.173
R-factor	0.2485
Rwork	0.247
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.005
RMSD bond angle	0.710
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	3.200
High resolution limit [Å]	3.150	8.540	3.150
Rmerge	0.119	0.074	0.382
Rmeas	0.127	0.080	0.414
Rpim	0.042	0.028	0.154
Number of reflections	4722	261	154
<I/σ(I)>	6
Completeness [%]	87.3	96	55
Redundancy	8.9	9.5	5.6
CC(1/2)	0.996	0.995	0.930

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 with20 mM MgCl2, 1.0 mM spermine, 1.0 mM CoH18N6, and 15% Ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock