8XP9

Crystal structure of d(ACGCCGT/ACGGCGT)

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	2018-04-14
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	46.613, 46.690, 75.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.060 - 2.340
R-factor	0.2563
Rwork	0.255
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.304
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	10.000	2.430
High resolution limit [Å]	2.340	5.060	2.350
Rmerge	0.055	0.035	0.624
Rmeas	0.060	0.038	0.684
Rpim	0.024	0.015	0.273
Number of reflections	7178	776	679
<I/σ(I)>	14.6
Completeness [%]	98.5	96	96.2
Redundancy	6.6	5.9	5.7
CC(1/2)		0.999	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.5mM CG duplex was mixed in a solution containing 50mM MES (pH=6.5), 1mM Spermine HCl, 20% PEG 400