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- PDB-6ibq: Structure of a nonameric RNA duplex at room temperature in ChipX ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6ibq | ||||||||||||||||||||||||||||||||||
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Title | Structure of a nonameric RNA duplex at room temperature in ChipX microfluidic device | ||||||||||||||||||||||||||||||||||
![]() | DNA/RNA (5'-R(*![]() RNA / RNA duplex / GoU pair / chipx | Function / homology | DNA/RNA hybrid | ![]() Biological species | ![]() ![]() Method | ![]() ![]() ![]() ![]() de Wijn, R. / Olieric, V. / Lorber, B. / Sauter, C. | Funding support | | ![]()
![]() ![]() Title: A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Authors: de Wijn, R. / Hennig, O. / Roche, J. / Engilberge, S. / Rollet, K. / Fernandez-Millan, P. / Brillet, K. / Betat, H. / Morl, M. / Roussel, A. / Girard, E. / Mueller-Dieckmann, C. / Fox, G.C. ...Authors: de Wijn, R. / Hennig, O. / Roche, J. / Engilberge, S. / Rollet, K. / Fernandez-Millan, P. / Brillet, K. / Betat, H. / Morl, M. / Roussel, A. / Girard, E. / Mueller-Dieckmann, C. / Fox, G.C. / Olieric, V. / Gavira, J.A. / Lorber, B. / Sauter, C. #1: ![]() Title: A sulfate pocket formed by three GoU pairs in the 0.97 A resolution X-ray structure of a nonameric RNA. Authors: Masquida, B. / Sauter, C. / Westhof, E. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 21.8 KB | Display | ![]() |
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PDB format | ![]() | 12.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 374.6 KB | Display | ![]() |
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Full document | ![]() | 374.6 KB | Display | |
Data in XML | ![]() | 3.1 KB | Display | |
Data in CIF | ![]() | 3.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6gzpC ![]() 6hw1C ![]() 6ibpC ![]() 6q3tC ![]() 6q52C ![]() 485dS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: DNA/RNA hybrid | Mass: 2831.743 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) ![]() ![]() #2: Chemical | ChemComp-SO4 / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.83 Å3/Da / Density % sol: 54.7 % |
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Crystal grow | Temperature: 300 K / Method: counter-diffusion / pH: 6 Details: RNA solution: 10 mg/mL in 10 mM Na-cacodylate pH 6.0, 5 mM MgCl2. Reservoir solution: 2.6 M ammonium sulfate, 50 mM Na-cacodylate pH 6.0, 5 mM MgSO4, 1 mM spermine. Crystallization and ...Details: RNA solution: 10 mg/mL in 10 mM Na-cacodylate pH 6.0, 5 mM MgCl2. Reservoir solution: 2.6 M ammonium sulfate, 50 mM Na-cacodylate pH 6.0, 5 mM MgSO4, 1 mM spermine. Crystallization and crystallographic analysis were performed using the ChipX microfluidic device. |
-Data collection
Diffraction | Mean temperature: 293 K / Ambient temp details: in situ / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 31, 2011 |
Radiation | Monochromator: Bartel monochromator with dual channel cut crystals (DCCM) Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.55→24 Å / Num. obs: 5485 / % possible obs: 91.5 % / Observed criterion σ(I): -3 / Redundancy: 3.9 % / Biso Wilson estimate: 23.6 Å2 / CC1/2: 0.988 / Rmerge(I) obs: 0.157 / Rrim(I) all: 0.179 / Net I/σ(I): 6.1 |
Reflection shell | Resolution: 1.55→1.59 Å / Redundancy: 2 % / Rmerge(I) obs: 0.367 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 304 / CC1/2: 0.755 / Rrim(I) all: 0.455 / % possible all: 69.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 485D Resolution: 1.55→23.037 Å / Cross valid method: THROUGHOUT / σ(F): 2.55 / Phase error: 25.79 Details: The structure was refined using data collected on four crystals at room temperature. The first nucleotide of each chain was not visible in the electron density and is not included in the model.
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.55→23.037 Å
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Refine LS restraints |
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