7X97

Crystal structure of actinomycin D-echinomycin-d(AGCCCGT/ACGGGCT) 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	2019-03-15
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 63 2 2
Unit cell lengths	43.452, 43.452, 139.365
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.570 - 1.950
R-factor	0.234
Rwork	0.229
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dq0
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.057	0.399
Rmeas	0.060	0.034
Rpim	0.018	0.010
Total number of observations	76141
Number of reflections	7161	702
<I/σ(I)>	7.7
Completeness [%]	97.8	93.1
Redundancy	12.3	7.8
CC(1/2)		0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.25 mM Oligonucleotides, 0.25 mM Echinomycin, 0.125 mM Actinomycin D, 2.5 mM Sodium cacodylate (pH 6.5), 0.5 mM Spermine tetrahydrochloride, 6 mM Zinc chloride, 3.5 mM Potassium chloride, PEG200 3% (v/v), Reservoir PEG 200 (30% v/v)