8YS7

Crystal structure of actinomycin D and Echinomycin-d(ACGGGCT/AGCCCCGT) 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	2020-06-01
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	H 3 2
Unit cell lengths	132.661, 132.661, 50.052
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.320 - 3.240
R-factor	0.2787
Rwork	0.277
R-free	0.29210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.030
RMSD bond angle	2.592
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.370
High resolution limit [Å]	3.200	6.980	3.250
Rmerge	0.120	0.066	0.390
Rmeas		0.071	0.414
Rpim		0.025	0.134
Number of reflections	2721	282	246
<I/σ(I)>	6.6
Completeness [%]	98.8	97.2	93.5
Redundancy	9.7	8.5	8.2
CC(1/2)		0.997	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	PEG 2000, potassium chloride, magnesium chloride hexahydrate, sodium chloride, Bis-Tris