4MNB

Crystal Structure of a complex between the marine anticancer drug Variolin B and DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	120
Detector technology	CCD
Collection date	2007-04-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	C 2 2 2
Unit cell lengths	28.700, 53.400, 40.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.790 - 1.400
R-factor	0.21024
Rwork	0.208
R-free	0.25341
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	9.433
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.800
High resolution limit [Å]	1.400
Number of reflections	6465
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	293	8% v/v MPD, 40 mM Na Cacodylate pH 5.8, 4 mM Hexamine Cobalt, 12 mM NaCl, 80 mM KCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K