5KEO

Structure Determination of a Self-Assembling DNA Crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.986
Spacegroup name	P 32 2 1
Unit cell lengths	67.946, 67.946, 58.839
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.610 - 3.150
R-factor	0.234
Rwork	0.232
R-free	0.27500
RMSD bond length	0.004
RMSD bond angle	0.588
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.610
High resolution limit [Å]	3.150	3.150
Rmerge	0.073	0.240
Number of reflections	2899
<I/σ(I)>	71.2	19.1
Completeness [%]	99.7	100
Redundancy	20.5	17.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	50 mM cacodylate pH 6.5, 100 mM MgCl2, 1.0 mM Cobalt(III)hexamine, and 2.0 M NaCl