7X9F

Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGCGCT) 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	2019-04-19
Detector	RAYONIX MX-300
Wavelength(s)	1.00000
Spacegroup name	P 42 2 2
Unit cell lengths	87.917, 87.917, 47.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.800 - 2.960
R-factor	0.218
Rwork	0.212
R-free	0.26600
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	3.070
High resolution limit [Å]	2.960	2.960
Rmerge	0.087	0.750
Rmeas	0.094	0.032
Rpim	0.034	0.012
Total number of observations	31951
Number of reflections	4205	475
<I/σ(I)>	9.2
Completeness [%]	99.9	100
Redundancy	7.6	8
CC(1/2)		0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	10 mM MES buffer (pH 6.0), 5 mM Spermine tetrahydrochloride, 2% PEG200, 3 mM Manganese chloride, 0.25 mM Oligonucleotides, 0.25 mM echinomycin, 0.125 mM actinomycin D