8WNB

Crystal structure of d(ACGCCGT/ACGICGT)

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	2018-05-20
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.441, 46.563, 74.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.960 - 2.480
R-factor	0.2499
Rwork	0.248
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.150
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	2.580
High resolution limit [Å]	2.480	5.360	2.490
Rmerge	0.042	0.018	0.482
Rmeas		0.021	0.540
Rpim		0.011	0.241
Number of reflections	5955	625	587
<I/σ(I)>	14.2
Completeness [%]	97.3	91.2	100
Redundancy	4.5	3.8	4.9
CC(1/2)		1.000	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	30mM MES (pH 6.5), 1mM Spermine HCl, 8% PEG 400, 1.5mM MgCl2