5YZE

Crystal structure of the [Co2+-(chromomycin A3)2]-d(CCG)3 complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.56418
Spacegroup name	P 32 1 2
Unit cell lengths	46.401, 46.401, 73.822
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.180 - 1.870
R-factor	0.196
Rwork	0.194
R-free	0.25200
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.008
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.200	1.940
High resolution limit [Å]	1.870	1.870
Rmerge	0.050	0.171
Number of reflections	7726	775
<I/σ(I)>	44.55
Completeness [%]	99.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.75mM DNA, 1.5mM Chro, 3mM Cobalt, 50mM Sodium Cacodylate (pH= 6.0), 1mM MgCl2, 1% MPD eqillibriated against 30% MPD