5WSP

Crystal structure of DNA3 duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97925
Spacegroup name	P 43 21 2
Unit cell lengths	42.471, 42.471, 25.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.638 - 1.502
R-factor	0.1853
Rwork	0.185
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.190
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge		0.495
Number of reflections	3977
<I/σ(I)>	37.2	2.6
Completeness [%]	99.7	100
Redundancy	22.5	19.5
CC(1/2)		0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	10% v/v MPD