7NRP

The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97862
Spacegroup name	P 61
Unit cell lengths	54.338, 54.338, 45.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.170 - 2.670
R-factor	0.171
Rwork	0.170
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pjo
RMSD bond length	0.009
RMSD bond angle	1.204
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.170	2.800
High resolution limit [Å]	2.670	2.670
Number of reflections	2243	275
<I/σ(I)>	25.2
Completeness [%]	98.8
Redundancy	19.3
CC(1/2)	0.996	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	298	0.5 mM duplex, 12 mM Mg(OAc)2, 0.6 mM Spermidine.HCl, 0.075% b-Octylglucoside, 12 mM Sodium cacodylate, 12 % (v/v) 2-Methyl-2,4-pentanediol (MPD); equilibrated against 50% MPD in H2O