+Open data
-Basic information
Entry | Database: PDB / ID: 1uun | ||||||
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Title | Main porin from Mycobacterium smegmatis (MspA) | ||||||
Components | MSPA | ||||||
Keywords | PORIN / MYCOBACTERIA | ||||||
Function / homology | Function and homology information porin activity / pore complex / cell outer membrane / iron ion transport / extracellular region Similarity search - Function | ||||||
Biological species | MYCOBACTERIUM SMEGMATIS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 2.5 Å | ||||||
Authors | Faller, M. / Niederweis, M. / Schulz, G.E. | ||||||
Citation | Journal: Science / Year: 2004 Title: The Structure of a Mycobacterial Outer-Membrane Channel Authors: Faller, M. / Niederweis, M. / Schulz, G.E. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1uun.cif.gz | 79.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1uun.ent.gz | 61.6 KB | Display | PDB format |
PDBx/mmJSON format | 1uun.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uu/1uun ftp://data.pdbj.org/pub/pdb/validation_reports/uu/1uun | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.708152, 0.70606, -0.000181), Vector: |
-Components
#1: Protein | Mass: 19499.516 Da / Num. of mol.: 2 / Fragment: RESIDUES 28-211 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) MYCOBACTERIUM SMEGMATIS (bacteria) / Plasmid: PMN501 / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: Q9RLP7, UniProt: A0QR29*PLUS #2: Water | ChemComp-HOH / | Compound details | ENGINEERED | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 4.75 Å3/Da / Density % sol: 74 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 5.6 Details: PROTEIN WAS CRYSTALLIZED FROM: 0.1M SODIUM CITRATE PH 5.6, 0.1M LITHIUM SULFATE, 12% PEG4000, DETERGENTS WERE ADDED | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 6 ℃ / pH: 5.6 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 0.813 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.813 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→30 Å / Num. obs: 25527 / % possible obs: 98 % / Observed criterion σ(I): -3 / Redundancy: 7.1 % / Net I/σ(I): 18.6 |
Reflection shell | Resolution: 2.5→2.8 Å / Redundancy: 6.8 % / Mean I/σ(I) obs: 6.3 / % possible all: 89 |
Reflection | *PLUS Highest resolution: 2.5 Å / Lowest resolution: 30 Å / % possible obs: 98 % / Redundancy: 7.1 % / Rmerge(I) obs: 0.085 |
Reflection shell | *PLUS Highest resolution: 2.5 Å / Lowest resolution: 2.8 Å / % possible obs: 89 % / Redundancy: 6.8 % / Rmerge(I) obs: 0.31 / Mean I/σ(I) obs: 6.3 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 2.5→29.2 Å / SU B: 6.964 / SU ML: 0.157 / Cross valid method: THROUGHOUT / ESU R: 0.274 / ESU R Free: 0.219
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Displacement parameters | Biso mean: 39.631 Å2
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Refinement step | Cycle: LAST / Resolution: 2.5→29.2 Å
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Refinement | *PLUS Lowest resolution: 29 Å / Rfactor Rfree: 0.249 / Rfactor Rwork: 0.226 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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