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Yorodumi- PDB-4ai1: Flo5A showing a heptanuclear gadolinium cluster on its surface af... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4ai1 | ||||||
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Title | Flo5A showing a heptanuclear gadolinium cluster on its surface after 19 min of soaking | ||||||
Components | FLOCCULATION PROTEIN FLO5 | ||||||
Keywords | CELL ADHESION / ADHESIN / FLOCCULIN | ||||||
Function / homology | Function and homology information flocculation / fungal-type cell wall / cell-substrate adhesion / mannose binding / side of membrane / cell periphery / extracellular region Similarity search - Function | ||||||
Biological species | SACCHAROMYCES CEREVISIAE (brewer's yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Veelders, M. / Essen, L.-O. | ||||||
Citation | Journal: Chembiochem / Year: 2012 Title: Complex Gadolinium-Oxo Clusters Formed Along Concave Protein Surfaces. Authors: Veelders, M. / Essen, L.-O. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4ai1.cif.gz | 77.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4ai1.ent.gz | 57.1 KB | Display | PDB format |
PDBx/mmJSON format | 4ai1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ai/4ai1 ftp://data.pdbj.org/pub/pdb/validation_reports/ai/4ai1 | HTTPS FTP |
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-Related structure data
Related structure data | 4ahwC 4ahxC 4ahyC 4ahzC 4ai0C 4ai2C 4ai3C 2xjpS 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
#1: Protein | Mass: 29097.939 Da / Num. of mol.: 1 / Fragment: LECTIN-LIKE DOMAIN, RESIDUES 23-271 Source method: isolated from a genetically manipulated source Details: SOAKED 19 MIN WITH GDAC3 Source: (gene. exp.) SACCHAROMYCES CEREVISIAE (brewer's yeast) Strain: S288C / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): K-12 / Variant (production host): ORIGAMI 2 / References: UniProt: P38894 | ||||||
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#2: Chemical | ChemComp-GD / #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.63 Å3/Da / Density % sol: 53.21 % / Description: NONE |
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Crystal grow | pH: 7.5 Details: 200 MM BISTRIS PROPANE PH 7.5 500 MM NACL 20% PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 1.7118 |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 8, 2010 / Details: BENT CYLINDRICAL MIRROR |
Radiation | Monochromator: SILICON (1 1 1) CHANNEL- CUT / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.7118 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→35.06 Å / Num. obs: 33799 / % possible obs: 98 % / Observed criterion σ(I): 2 / Redundancy: 3.8 % / Biso Wilson estimate: 17.52 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 22.7 |
Reflection shell | Resolution: 1.7→1.79 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 1.7 / % possible all: 88.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2XJP Resolution: 1.8→40.58 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.937 / SU B: 2.237 / SU ML: 0.07 / Cross valid method: THROUGHOUT / ESU R: 0.113 / ESU R Free: 0.111 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 197 - 199 ARE NOT WELL DEFINED. RESIDUES 200 - 204 HAVE BEEN MODELLED IN TWO DISTINCT CONFORMATIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 15.277 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→40.58 Å
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Refine LS restraints |
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