1UNM

Crystal structure of 7-Aminoactinomycin D with non-complementary DNA

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-15
Detector	MARRESEARCH
Wavelength(s)	1.5418,0.8110
Spacegroup name	C 2 2 21
Unit cell lengths	51.586, 70.975, 39.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.2431
R-free	0.28090
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.019
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.032	0.090
Number of reflections	10296
<I/σ(I)>	11.87	8.71
Completeness [%]	99.6	98.8
Redundancy	1.83	1.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6		(NH4)2SO4, NAK TART, NA CIT, PH 5.6, HANGING DROP