+Open data
-Basic information
Entry | Database: PDB / ID: 7kka | ||||||
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Title | Fluoride channel Fluc-Ec2 mutant S81A with bromide | ||||||
Components |
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Keywords | MEMBRANE PROTEIN / fluoride channel | ||||||
Function / homology | Function and homology information fluoride channel activity / cellular detoxification of fluoride / metal ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | McIlwain, B.C. / Stockbridge, R.B. | ||||||
Funding support | United States, 1items
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Citation | Journal: Elife / Year: 2021 Title: The fluoride permeation pathway and anion recognition in Fluc family fluoride channels. Authors: McIlwain, B.C. / Gundepudi, R. / Koff, B.B. / Stockbridge, R.B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7kka.cif.gz | 101.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7kka.ent.gz | 76.6 KB | Display | PDB format |
PDBx/mmJSON format | 7kka.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7kka_validation.pdf.gz | 1012.1 KB | Display | wwPDB validaton report |
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Full document | 7kka_full_validation.pdf.gz | 1015.6 KB | Display | |
Data in XML | 7kka_validation.xml.gz | 17.6 KB | Display | |
Data in CIF | 7kka_validation.cif.gz | 24.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kk/7kka ftp://data.pdbj.org/pub/pdb/validation_reports/kk/7kka | HTTPS FTP |
-Related structure data
Related structure data | 7kk8C 7kk9C 7kkbC 7kkrC 5a43S 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 / Antibody / Sugars , 3 types, 7 molecules ABCD
#1: Protein | Mass: 13599.307 Da / Num. of mol.: 2 / Mutation: S81A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: crcB, crcB_2, flc_2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q6J5N4 #2: Antibody | Mass: 10375.529 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli) #6: Sugar | |
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-Non-polymers , 4 types, 63 molecules
#3: Chemical | ChemComp-NA / | ||||
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#4: Chemical | #5: Chemical | #7: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | N |
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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: 5.66 Å3/Da / Density % sol: 78.28 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion / Details: 0.1 glycine pH9 31% PEG 600 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N | ||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 0.9184 Å | ||||||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Dec 6, 2017 | ||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||
Reflection | Resolution: 2.5→39.08 Å / Num. obs: 36655 / % possible obs: 99.6 % / Redundancy: 13.7 % / CC1/2: 0.998 / Rmerge(I) obs: 0.146 / Rpim(I) all: 0.041 / Rrim(I) all: 0.152 / Net I/σ(I): 11.9 / Num. measured all: 502931 / Scaling rejects: 229 | ||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5A43 Resolution: 2.5→39.08 Å / SU ML: 0.34 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 30.46 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 162.72 Å2 / Biso mean: 66.7313 Å2 / Biso min: 40.63 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.5→39.08 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 13
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