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 |