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Yorodumi- PDB-5go6: Structure of sortase E T196V mutant from Streptomyces avermitilis -
+Open data
-Basic information
Entry | Database: PDB / ID: 5go6 | ||||||
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Title | Structure of sortase E T196V mutant from Streptomyces avermitilis | ||||||
Components | Putative secreted proteinSecretory protein | ||||||
Keywords | HYDROLASE / beta barrel / sortase-fold / cysteine transpeptidase / T196V mutant | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Streptomyces avermitilis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | ||||||
Authors | Das, S. / Pawale, V.S. / Dadireddy, V. / Roy, R.P. / Ramakumar, S. | ||||||
Citation | Journal: To Be Published Title: Structure of sortase E T196V mutant from Streptomyces avermitilis Authors: Das, S. / Pawale, V.S. / Dadireddy, V. / Roy, R.P. / Ramakumar, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5go6.cif.gz | 48.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5go6.ent.gz | 32 KB | Display | PDB format |
PDBx/mmJSON format | 5go6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/go/5go6 ftp://data.pdbj.org/pub/pdb/validation_reports/go/5go6 | HTTPS FTP |
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-Related structure data
Related structure data | 5go5S S: Starting model for refinement |
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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: 22326.262 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 51-230 / Mutation: T196V Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces avermitilis (strain ATCC 31267 / DSM 46492 / JCM 5070 / NBRC 14893 / NCIMB 12804 / NRRL 8165 / MA-4680) (bacteria) Strain: ATCC 31267 / DSM 46492 / JCM 5070 / NBRC 14893 / NCIMB 12804 / NRRL 8165 / MA-4680 Gene: SAVERM_4333 / Plasmid: pET28b(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-CodonPlus-RP / References: UniProt: Q82FC3 | ||
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#2: Chemical | #3: 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: 2.25 Å3/Da / Density % sol: 45.25 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 3.75 / Details: 1.6M ammonium sulfate, 0.1M citric acid pH 3.75 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.95372 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Apr 15, 2015 / Details: bent collimating mirror and toroid |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.95372 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→50 Å / Num. obs: 22502 / % possible obs: 99.9 % / Redundancy: 12.2 % / Biso Wilson estimate: 34 Å2 / CC1/2: 0.982 / Rmerge(I) obs: 0.065 / Net I/σ(I): 39.1 |
Reflection shell | Resolution: 1.7→1.73 Å / Redundancy: 10.7 % / Mean I/σ(I) obs: 2.77 / CC1/2: 0.877 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5GO5 Resolution: 1.7→50.01 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.961 / SU B: 1.783 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.086 / ESU R Free: 0.089 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 33.081 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→50.01 Å
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