6V6R

Crystal Structure of a Bromine Derivatized Self-Assembling DNA Crystal Scaffold with 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	2018-08-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.92
Spacegroup name	H 3
Unit cell lengths	115.806, 115.806, 44.748
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.865 - 2.700
R-factor	0.2435
Rwork	0.242
R-free	0.27860
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.753
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL2Map
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	0.062	0.049	0.637
Rmeas	0.079	0.063	0.833
Rpim	0.049	0.039	0.530
Number of reflections	12116	594	555
<I/σ(I)>	18.1
Completeness [%]	98.5	98	92.5
Redundancy	2.4	2.5	1.9
CC(1/2)	0.930	0.992	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Crystallization conditions: 0.5 mL of 50 mM cacodylate pH 6.5 with 100 mM MgCl2, 1 mM cobalt hexamine, and 10% Ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock.