5JU4

Crystal structure of a DNA sequence d(CGTGAATTCACG) at 130K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	130
Detector technology	CCD
Collection date	2016-04-27
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	24.503, 41.090, 65.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.760 - 2.000
R-factor	0.2226
Rwork	0.219
R-free	0.29214
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d29
RMSD bond length	0.009
RMSD bond angle	1.776
Data reduction software	CrysalisPro (171.37.35)
Data scaling software	CrysalisPro (171.37.35)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.800	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.368
Number of reflections	4550
<I/σ(I)>	18.7
Completeness [%]	99.5
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	60mM Sodium cacodylate, 17mM MgCl2, 2m M Spermine, 50% MPD, 1.5mM DAPI