+Open data
-Basic information
Entry | Database: PDB / ID: 7tkw | |||||||||||||||||||||
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Title | Crystal structure of R14A human Galectin-7 mutant | |||||||||||||||||||||
Components | Galectin-7 | |||||||||||||||||||||
Keywords | SUGAR BINDING PROTEIN / human galectin-7 / dimer interface mutant | |||||||||||||||||||||
Function / homology | Function and homology information heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules / carbohydrate binding / apoptotic process / extracellular space / extracellular exosome / nucleus / cytoplasm Similarity search - Function | |||||||||||||||||||||
Biological species | Homo sapiens (human) | |||||||||||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.85 Å | |||||||||||||||||||||
Authors | Pham, N.T.H. / Calmettes, C. / Doucet, N. | |||||||||||||||||||||
Funding support | Canada, 6items
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Citation | Journal: To Be Published Title: Crystal structure of R14A human Galectin-7 mutant Authors: Pham, N.T.H. / Calmettes, C. / Doucet, N. | |||||||||||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7tkw.cif.gz | 118.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7tkw.ent.gz | 91.7 KB | Display | PDB format |
PDBx/mmJSON format | 7tkw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7tkw_validation.pdf.gz | 458.5 KB | Display | wwPDB validaton report |
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Full document | 7tkw_full_validation.pdf.gz | 462.6 KB | Display | |
Data in XML | 7tkw_validation.xml.gz | 15.6 KB | Display | |
Data in CIF | 7tkw_validation.cif.gz | 21.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tk/7tkw ftp://data.pdbj.org/pub/pdb/validation_reports/tk/7tkw | HTTPS FTP |
-Related structure data
Related structure data | 1bkzS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 14879.734 Da / Num. of mol.: 2 / Mutation: R14A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: LGALS7, PIG1, LGALS7B / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P47929 #2: Chemical | ChemComp-GOL / #3: Chemical | #4: Water | ChemComp-HOH / | 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: 2.06 Å3/Da / Density % sol: 40.43 % |
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Crystal grow | Temperature: 295.15 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 0.2 M Sodium chloride, 0.1 M Tris 8.0, 20 % w/v PEG 6000 Temp details: Room temperature |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.97952 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 9, 2017 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97952 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.85→53.75 Å / Num. obs: 21688 / % possible obs: 100 % / Redundancy: 12.1 % / CC1/2: 0.711 / Rmerge(I) obs: 0.692 / Rpim(I) all: 0.208 / Rrim(I) all: 0.724 / Net I/σ(I): 142.7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Phasing
Phasing | Method: molecular replacement | |||||||||
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Phasing MR |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1bkz Resolution: 1.85→47.74 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 22.86 / 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: 126.62 Å2 / Biso mean: 32.5258 Å2 / Biso min: 10.92 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.85→47.74 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 8 / % reflection obs: 100 %
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