1NAB

The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-27
Detector	MARRESEARCH
Wavelength(s)	1.03
Spacegroup name	P 43 21 2
Unit cell lengths	37.813, 37.813, 63.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.150
R-factor	0.226
Rwork	0.224
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.130
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	NUCLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000 *	2.170
High resolution limit [Å]	2.150	2.150 *
Rmerge	0.118	0.531 *
Number of reflections	2621 *
<I/σ(I)>	5.4
Completeness [%]	95.4	75.6
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	magnesium chloride, cacodylate, spermine hydrochloride, MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	magnesium chloride
2	1	1	cacodylate
3	1	1	spermine hydrochloride
4	1	1	MPD
5	1	2	magnesium chloride
6	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium cacodylate	40 (mM)	pH6.5
2	1	drop	DNA	0.9 (mM)
3	1	drop		4.2 (mM)
4	1	drop	spermine hydrocloride	8.3 (mM)
5	1	drop	MEN 10755	2 (mM)
6	1	drop			20%(by vol)
7	1	reservoir	MPD	60 (%)