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- PDB-1z79: Crystal structure of an RNA duplex containing site specific 2'-am... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1z79 | ||||||||||||||||||
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Title | Crystal structure of an RNA duplex containing site specific 2'-amine substitution at a C-A mismatch (at pH 5) | ||||||||||||||||||
![]() | RNA 5'-R(*![]() RNA / 2'-AMINE / DUPLEX / MISMATCH | Function / homology | RNA / RNA (> 10) | ![]() Method | ![]() ![]() ![]() Gherghe, C.M. / Krahn, J.M. / Weeks, K.M. | ![]() ![]() Title: Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA. Authors: Gherghe, C.M. / Krahn, J.M. / Weeks, K.M. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 37.6 KB | Display | ![]() |
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PDB format | ![]() | 25.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 408.6 KB | Display | ![]() |
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Full document | ![]() | 409.2 KB | Display | |
Data in XML | ![]() | 4.1 KB | Display | |
Data in CIF | ![]() | 5.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1yrmSC ![]() 1yy0C ![]() 1yzdC ![]() 1z7fC C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: RNA chain | Mass: 5081.094 Da / Num. of mol.: 3 / Source method: obtained synthetically #2: Chemical | ChemComp-CA / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.14 Å3/Da / Density % sol: 42.41 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 273 K / Method: vapor diffusion, sitting drop / pH: 5.2 Details: MPD, Na cacodylate, spermine, calcium chloride, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K | ||||||||||||||||||||||||||||||||||||
Components of the solutions |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Feb 14, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→23 Å / Num. all: 4979 / Num. obs: 4904 / % possible obs: 98.6 % / Observed criterion σ(I): 1 / Redundancy: 14.29 % / Biso Wilson estimate: 60.4 Å2 / Rmerge(I) obs: 0.08 / Rsym value: 0.1 / Net I/σ(I): 11.65 |
Reflection shell | Resolution: 2.5→2.59 Å / Rmerge(I) obs: 0.5 / Mean I/σ(I) obs: 2.86 / Num. unique all: 465 / Rsym value: 0.419 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1YRM Resolution: 2.55→8.08 Å / Rfactor Rfree error: 0.017 / Data cutoff high absF: 550839.87 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 40.6488 Å2 / ksol: 0.375414 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 38.6 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.55→8.08 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.55→2.7 Å / Rfactor Rfree error: 0.051 / Total num. of bins used: 6
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Xplor file |
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