6UEF

Crystal Structure of a Self-Assembling DNA Scaffold Containing Sequence Modifications to Attempt to Disrupt Crystal Contacts in a Rhombohedral Lattice.

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	2019-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	115.910, 115.910, 43.988
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.525 - 2.950
R-factor	0.2362
Rwork	0.235
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u40
RMSD bond length	0.005
RMSD bond angle	0.791
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	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.089	0.067	0.816
Rmeas	0.094	0.071	0.865
Rpim	0.030	0.023	0.285
Number of reflections	4634	232	225
<I/σ(I)>	11.4
Completeness [%]	99.8	99.6	100
Redundancy	10	10	9.1
CC(1/2)		0.994	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M TRIS pH 8.0, 200 mM MgCl2, and 15% ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock