+Open data
-Basic information
Entry | Database: PDB / ID: 3mbu | |||||||||
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Title | Structure of a bipyridine-modified PNA duplex | |||||||||
Components | Bipyridine-PNA | |||||||||
Keywords | Peptide Nucleic acid / bipyridine / PNA | |||||||||
Function / homology | CARBONATE ION / S-1,2-PROPANEDIOL / R-1,2-PROPANEDIOL Function and homology information | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / AB INITIO PHASING / Resolution: 1.05 Å | |||||||||
Authors | Yeh, J.I. / Pohl, E. / Truan, D. / He, W. / Sheldrick, G.M. / Du, S. / Achim, C. | |||||||||
Citation | Journal: Chemistry / Year: 2010 Title: The crystal structure of non-modified and bipyridine-modified PNA duplexes. Authors: Yeh, J.I. / Pohl, E. / Truan, D. / He, W. / Sheldrick, G.M. / Du, S. / Achim, C. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3mbu.cif.gz | 58.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3mbu.ent.gz | 48.4 KB | Display | PDB format |
PDBx/mmJSON format | 3mbu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3mbu_validation.pdf.gz | 480.5 KB | Display | wwPDB validaton report |
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Full document | 3mbu_full_validation.pdf.gz | 498.4 KB | Display | |
Data in XML | 3mbu_validation.xml.gz | 10.3 KB | Display | |
Data in CIF | 3mbu_validation.cif.gz | 13.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mb/3mbu ftp://data.pdbj.org/pub/pdb/validation_reports/mb/3mbu | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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4 |
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Unit cell |
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Components on special symmetry positions |
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-Components
-Protein/peptide , 1 types, 4 molecules ABCD
#1: Protein/peptide | Mass: 2620.625 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: Chemically synthesised |
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-Non-polymers , 6 types, 242 molecules
#2: Chemical | ChemComp-EDO / | ||||||||
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#3: Chemical | #4: Chemical | #5: Chemical | #6: Chemical | #7: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 2 |
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-Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 48.72 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion / pH: 5.5 Details: 40% propanediol 0.2 M NaCl 0.1 M citrate pH 5.5, VAPOR DIFFUSION, temperature 295K |
-Data collection
Diffraction |
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Diffraction source |
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Detector |
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Radiation |
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Radiation wavelength | Wavelength: 0.8 Å / Relative weight: 1 | |||||||||||||||
Reflection | Resolution: 1.05→50 Å / Num. all: 40632 / Num. obs: 34896 / Observed criterion σ(F): 4 / Observed criterion σ(I): 2 |
-Processing
Software |
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Refinement | Method to determine structure: AB INITIO PHASING / Resolution: 1.05→26.73 Å / Cross valid method: THROUGHOUT / σ(F): 4 / σ(I): -3 / Details: conjugate gradient against intensities
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Refinement step | Cycle: LAST / Resolution: 1.05→26.73 Å
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