8W7W

Crystal structure of d(CGTATACG)2 with acridine 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	2021-11-22
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	24.146, 72.095, 24.127
Unit cell angles	90.00, 92.67, 90.00

Refinement procedure

Resolution	24.120 - 1.580
R-factor	0.2193
Rwork	0.218
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.640
High resolution limit [Å]	1.580	3.400	1.580
Rmerge		0.015	0.169
Rmeas		0.018	0.199
Rpim		0.010	0.104
Number of reflections	11068	1021	1032
<I/σ(I)>	29.2
Completeness [%]	96.4	86.8	91
Redundancy	3.6	3.4	3.6
CC(1/2)		0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.3mM oligonucleotides, 0.3mM ligand, 25mM bis-tris (pH 7.0), 50mM sodium chloride, 10mM magnesium chloride hexahydrate, 15% (v/v) 2-methyl-2,4-pentanediol