7BPV

r(GUGGGCCGAC)/d(GTCGGCCCAC) hybrid duplex structure

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	2020-02-19
Detector	RAYONIX MX300HE
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	28.348, 46.647, 47.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.614 - 1.781
R-factor	0.22
Rwork	0.218
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l75
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.048	0.037	0.452
Rmeas	0.053	0.041	0.496
Rpim	0.021	0.017	0.199
Total number of observations	40863
Number of reflections	6395	675	601
<I/σ(I)>	16.4
Completeness [%]	98.8	93.1	98
Redundancy	6.4	5.7	5.7
CC(1/2)		0.998	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	5 mM MgSO4, 50 mM Tris HCL, 50 Mm MES (pH-6.5), 2.9 M 1,6-Hexandiol