378D

STRUCTURE OF THE SIDE-BY-SIDE BINDING OF DISTAMYCIN TO DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	SIEMENS-NICOLET
Spacegroup name	P 1 21 1
Unit cell lengths	29.550, 42.180, 43.380
Unit cell angles	90.00, 96.56, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.21
Rwork	0.210
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	COORDINATES OF D(CCCCCIIIII) (FROM CRYSTAL STRUCTURE)
RMSD bond length	0.004 *
RMSD bond angle	1.090 *
Data reduction software	XENGEN (V. 2.1)
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.700	2.510
High resolution limit [Å]	2.230	2.400
Rmerge	0.070
Number of reflections	3588 *
Completeness [%]	84.7 *	53.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	293 *	pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	1 (mM)
2	1	drop	distamycin A hydrochloride	1 (mM)
3	1	drop	magnesium chloride	20 (mM)
4	1	reservoir	MPD	40 (%)