6U40

Crystal Structure of a Self-Assembling DNA Crystal Scaffold with Rhombohedral Symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	115.556, 115.556, 44.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.358 - 2.702
R-factor	0.2396
Rwork	0.239
R-free	0.25450
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.776
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	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.074	0.057	0.532
Rmeas	0.083	0.063	0.619
Rpim	0.037	0.028	0.311
Total number of observations	61013
Number of reflections	6039	621	632
<I/σ(I)>	11.7
Completeness [%]	99.7	98.6	100
Redundancy	4.9	5.1	3.8
CC(1/2)		0.997	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	50 mM Cacodylate pH 7.0, 20 mM MgCl2, 1 mM Spermine, 1 mM Cobalt hexamine, 15% EtOH