7DQ0

Crystal structure of actinomycin D-echinomycin-d(ACGTGCT/AGCTCGT) 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 41 21 2
Unit cell lengths	30.188, 30.188, 137.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.220 - 2.000
R-factor	0.2333
Rwork	0.232
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ytz 1mnv
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.033	0.016	0.230
Rmeas	0.035	0.017	0.244
Rpim	0.012	0.007	0.081
Number of reflections	7257	553	445
<I/σ(I)>	12.3
Completeness [%]	98.8	96.3	98.5
Redundancy	9.7	6.3	8.3
CC(1/2)		0.999	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.5 mM Sodium Cacodylate, 1 mM Magnesium chloride, 1 mM Spermine tetrahydrochloride, 1.5 mM Zinc Chloride, 1% PEG 200