5YTY

Crystal structure of echinomycin-d(ACGACGT/ACGTCGT) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-19
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	P 31 1 2
Unit cell lengths	46.362, 46.362, 48.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.600 - 1.580
R-factor	0.226
Rwork	0.222
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ytz
RMSD bond length	0.010
RMSD bond angle	1.475
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (7.0.005)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.037	0.141
Number of reflections	12609	816
<I/σ(I)>	17.4
Completeness [%]	99.5	100
Redundancy	6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20mM MES (pH 6.0), 10mM MgCl2, 2mM spermine 4HCl, 2% 2-methyl-2,4-pentanediol (MPD), 10mM MnSO4 and 10mM KBr by equilibrating against 500ul of 30% MPD reservoir solution.