4ROO

Sequence and structure of a self-assembled 3-D DNA crystal: D(GGACCGCGGGGAG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979200
Spacegroup name	P 64
Unit cell lengths	40.789, 40.789, 52.007
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.320 - 2.370
R-factor	0.24356
Rwork	0.237
R-free	0.30136
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p1y
RMSD bond length	0.008
RMSD bond angle	1.439
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.010	2.500
High resolution limit [Å]	2.370	2.370
Rmerge	0.025	1.257
Number of reflections	1999
<I/σ(I)>	23	0.9
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	120mM Magnesium Formate, 50mM Lithium Chloride, 10% MPD, pH none, EVAPORATION, temperature 298K