5YTZ

Crystal structure of echinomycin-d(ACGTCGT)2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-04
Detector	RAYONIX MX300-HS
Wavelength(s)	0.92014
Spacegroup name	I 41 2 2
Unit cell lengths	41.759, 41.759, 138.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.160 - 1.550
R-factor	0.209
Rwork	0.206
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3go3
RMSD bond length	0.008
RMSD bond angle	1.344
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	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.037	0.141
Number of reflections	16665	908
<I/σ(I)>	12.9
Completeness [%]	99.9	99.9
Redundancy	17.3	12.5

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 500 ul of 30% MPD reservoir solution.