6UDN

Crystal Structure of a Self-Assembling DNA Scaffold Containing TA Sticky Ends and Rhombohedral Symmetry

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	2019-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	116.091, 116.091, 45.001
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.703 - 2.602
R-factor	0.235
Rwork	0.234
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u40
RMSD bond length	0.006
RMSD bond angle	0.847
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	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.094	0.087	0.994
Rmeas	0.100	0.092	1.050
Rpim	0.032	0.030	0.334
Total number of observations	69622
Number of reflections	6933	353	367
<I/σ(I)>	10.9
Completeness [%]	99.9	99.7	100
Redundancy	10	10.1	9.8
CC(1/2)		0.991	0.754

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 20 mM MgCl2, 1.0 mM spermine, and 15% ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock.