+Open data
-Basic information
Entry | Database: PDB / ID: 4xnl | ||||||||||||
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Title | X-ray structure of AlgE2 | ||||||||||||
Components | Alginate production protein AlgE | ||||||||||||
Keywords | TRANSPORT PROTEIN / AlgE alginate export protein | ||||||||||||
Function / homology | Function and homology information | ||||||||||||
Biological species | Pseudomonas aeruginosa PAO1 (bacteria) | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å | ||||||||||||
Authors | Ma, P. / Huang, C.Y. / Olieric, V. / Diederichs, K. / Wang, M. / Caffrey, M. | ||||||||||||
Funding support | Ireland, United States, Belgium, 3items
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Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2015 Title: In meso in situ serial X-ray crystallography of soluble and membrane proteins. Authors: Huang, C.Y. / Olieric, V. / Ma, P. / Panepucci, E. / Diederichs, K. / Wang, M. / Caffrey, M. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4xnl.cif.gz | 107.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4xnl.ent.gz | 80 KB | Display | PDB format |
PDBx/mmJSON format | 4xnl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xn/4xnl ftp://data.pdbj.org/pub/pdb/validation_reports/xn/4xnl | HTTPS FTP |
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-Related structure data
Related structure data | 4xjbC 4xjdC 4xjfC 4xjgC 4xjhC 4xjiC 4xniC 4xnjC 4xnkC 4afkS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 54481.355 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa PAO1 (bacteria) / Gene: algE, alg76, PA3544 / Production host: Escherichia coli (E. coli) / References: UniProt: P18895 |
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-Non-polymers , 6 types, 43 molecules
#2: Chemical | ChemComp-LDA / #3: Chemical | ChemComp-78M / ( #4: Chemical | ChemComp-78N / ( | #5: Chemical | ChemComp-PE5 / | #6: Chemical | ChemComp-CA / | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.94 Å3/Da / Density % sol: 58.14 % |
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Crystal grow | Temperature: 293 K / Method: lipidic cubic phase Details: 450 mM NH4Cl, 21 %(v/v) PEG 400, 100 mM MES buffer pH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1.0332 Å |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: May 1, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→50 Å / Num. obs: 14392 / % possible obs: 96.5 % / Redundancy: 4.6 % / Biso Wilson estimate: 77.25 Å2 / Net I/σ(I): 5.5 |
Reflection shell | Resolution: 2.9→3.06 Å / Redundancy: 4.6 % / Mean I/σ(I) obs: 1.2 / % possible all: 99 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4AFK Resolution: 2.9→47.12 Å / Cor.coef. Fo:Fc: 0.8356 / Cor.coef. Fo:Fc free: 0.6747 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.418
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Displacement parameters | Biso mean: 53.99 Å2
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Refine analyze | Luzzati coordinate error obs: 0.455 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.9→47.12 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.9→3.13 Å / Total num. of bins used: 7
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