7OZZ

The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG with LNA-amide modification

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	54.120, 54.120, 48.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.060 - 2.700
R-factor	0.2029
Rwork	0.200
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nrp
RMSD bond length	0.007
RMSD bond angle	1.541
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.060	2.770
High resolution limit [Å]	2.700	2.700
Number of reflections	2283	152
<I/σ(I)>	23
Completeness [%]	99.9
Redundancy	9.7
CC(1/2)	0.999	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Drop solution 0.5 mM duplex, 40 mM Sodium chloride, 6.0 mM Potassium chloride, 20 mM Sodium cacodylate trihydrate pH 7.0, 17.5% (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