+Open data
-Basic information
Entry | Database: PDB / ID: 4uic | ||||||
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Title | Crystal structure of the S-layer protein rSbsC(31-844) | ||||||
Components | SURFACE LAYER PROTEIN | ||||||
Keywords | SUGAR BINDING PROTEIN / S-LAYER / SBSC / G. STEAROTHERMOPHILUS | ||||||
Function / homology | Function and homology information | ||||||
Biological species | GEOBACILLUS STEAROTHERMOPHILUS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIRAS / Resolution: 2.9 Å | ||||||
Authors | Pavkov-Keller, T. / Dordic, A. / Egelseer, E.M. / Sleytr, U.B. / Keller, W. | ||||||
Citation | Journal: To be Published Title: S-Layer Protein Rsbsc(31-844) Authors: Pavkov-Keller, T. / Dordic, A. / Eder, M. / Davies, K. / Mills, D. / Egelseer, E.M. / Sleytr, U.B. / Kuehlbrandt, W. / Vonck, J. / Keller, W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4uic.cif.gz | 142.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4uic.ent.gz | 114.9 KB | Display | PDB format |
PDBx/mmJSON format | 4uic.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ui/4uic ftp://data.pdbj.org/pub/pdb/validation_reports/ui/4uic | HTTPS FTP |
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-Related structure data
Related structure data | |
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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: 86710.086 Da / Num. of mol.: 1 / Fragment: RESIDUES 31-844 Source method: isolated from a genetically manipulated source Source: (gene. exp.) GEOBACILLUS STEAROTHERMOPHILUS (bacteria) Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: O68840 |
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#2: 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: 3.99 Å3/Da / Density % sol: 69 % Description: THE STRUCTURE WAS SOLVED USING PB AND OS DERIVATIVE FOR INITIAL PHASING. PHASE EXTENSION WAS PERFORMED WITH THE BEST NATIVE DATA SET |
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Crystal grow | Details: 5 MG/ML 5-8% /W/V) PEG6000 FROM FLUKA, 0.05-0.2M NACL, 0.1 M CACODYLATE PH 5-6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X13 / Wavelength: 0.801 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jan 29, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.801 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→25 Å / Num. obs: 23384 / % possible obs: 98.5 % / Observed criterion σ(I): 3 / Redundancy: 3.2 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 12.1 |
Reflection shell | Resolution: 2.8→2.85 Å / Mean I/σ(I) obs: 3 |
-Processing
Software |
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Refinement | Method to determine structure: MIRAS Starting model: NONE Resolution: 2.9→49.26 Å / Cor.coef. Fo:Fc: 0.92 / Cor.coef. Fo:Fc free: 0.878 / SU B: 17.837 / SU ML: 0.328 / Cross valid method: THROUGHOUT / ESU R: 1.666 / ESU R Free: 0.41 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT INITIALY, DOMAINS 4,5 AND 6 COULD BE TRACED ONLY AS POLY- ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT INITIALY, DOMAINS 4,5 AND 6 COULD BE TRACED ONLY AS POLY- ALA. THE ELECTRON DENSITY OF DOMAINS 4,5 AND 6 WAS NOT GOOD ENOUGH FOR PLACING THE INDIVIDUAL SIDE CHAINS. DOMAIN 6 HAS DISORDERED REGIONS.
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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: 75.295 Å2
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Refinement step | Cycle: LAST / Resolution: 2.9→49.26 Å
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