278D

SUBSTITUTIONS AT C2' OF DAUNOSAMINE IN THE ANTICANCER DAUNORUBICIN ALTER ITS DNA-BINDING SEQUENCE SPECIFICITY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-08-06
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 41 21 2
Unit cell lengths	28.250, 28.250, 53.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.183
RMSD bond length	0.019
Data reduction software	MSC
Refinement software	NUCLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000 *
High resolution limit [Å]	1.800 *	1.800 *
Rmerge	0.060
Completeness [%]		83.8 *
Redundancy	4.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	pH 6.00, VAPOR DIFFUSION, temperature 298.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	1	MPD
3	1	1	BACL2
4	1	1	NA CACODYLATE
5	1	1	SPERMINE
6	1	2	WATER
7	1	2	MPD