7OOS

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 61
Unit cell lengths	55.140, 55.140, 45.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.750 - 2.600
R-factor	0.2189
Rwork	0.218
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nrp
RMSD bond length	0.004
RMSD bond angle	0.902
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.750	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	2517	308
<I/σ(I)>	8.9	2.2
Completeness [%]	99.9
Redundancy	7.5
CC(1/2)	0.943	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Drop solution, 0.5 mM duplex, 20 mM Lithium chloride, 40 mM Strontium chloride hexahydrate, 20 mM Sodium cacodylate trihydrate pH 7.0, 15% (v/v) MPD, 6.0 mM Spermine tetrahydrochloride; Well solution, Component concentrations are double the concentration of the drop solution and do not contain the oligonucleotide duplex