7DQ8

Crystal structure of actinomycin D-echinomycin-d(ACGCGCT/AGCTCGT) 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	2018-10-26
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 41 21 2
Unit cell lengths	29.738, 29.738, 137.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.970 - 2.400
R-factor	0.268
Rwork	0.267
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dq0
RMSD bond length	0.027
RMSD bond angle	2.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.241	0.726
Number of reflections	2811	32688
<I/σ(I)>	21.2
Completeness [%]	99.0	100
Redundancy	11.6	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 mM ssDNA, 0.2 mM echinomycin, 0.1 mM actinomycin D, 2.5 mM Sodium Cacodylate (pH 7.0), 1 mM magnesium chloride, 2.5 mM spermine tetrahydrochloride, 1 mM zinc chloride, 1% PEG 200