4DKZ

Hairpin structure of a DNA dodecamer containing North-methanocarba-2'-deoxythymidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	24.300, 35.280, 36.710
Unit cell angles	90.00, 92.84, 90.00

Refinement procedure

Resolution	50.000 - 1.800
Rwork	0.234
R-free	0.25180
Structure solution method	SAD
RMSD bond angle	0.008
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.032
Number of reflections	5795
Completeness [%]	98.8	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	40 mM sodium cacodylate, pH 6.0, 80 mM sodium chloride, 12 mM spermine tetrahydrochloride and 10% v/v 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 291K