6L75

Crystal structure of d(GTGGGCCGAC)2 DNA duplex

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	2017-11-11
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	38.457, 38.457, 79.935
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.806 - 1.578
R-factor	0.2019
Rwork	0.199
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A DNA
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.640
High resolution limit [Å]	1.500	3.400	1.580
Rmerge	0.051	0.038	0.376
Rmeas	0.055	0.041	0.396
Rpim	0.018	0.014	0.123
Number of reflections	9886	1053	964
<I/σ(I)>	15.3
Completeness [%]	99.4	96.3	99.8
Redundancy	9.8	8	10.2
CC(1/2)		0.999	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	1mM DNA, 100mM Licl, 10mM MnCl2, 50mM MES (pH 6.5), 2.6M Sodium malonate dibasic monohydrate