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Yorodumi- PDB-4jxy: CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE PATL_3739 (TARGET EFI-50... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4jxy | ||||||
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Title | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE PATL_3739 (TARGET EFI-509195) FROM Pseudoalteromonas atlantica | ||||||
Components | Trans-hexaprenyltranstransferase | ||||||
Keywords | TRANSFERASE / ISOPRENOID SYNTHASE / ENZYME FUNCTION INITIATIVE / EFI / Structural Genomics | ||||||
Function / homology | Function and homology information heptaprenyl diphosphate synthase activity => GO:0000010 / heptaprenyl diphosphate synthase / isoprenoid biosynthetic process Similarity search - Function | ||||||
Biological species | Pseudoalteromonas atlantica (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Patskovsky, Y. / Toro, R. / Bhosle, R. / Hillerich, B. / Seidel, R.D. / Washington, E. / Scott Glenn, A. / Chowdhury, S. / Evans, B. / Hammonds, J. ...Patskovsky, Y. / Toro, R. / Bhosle, R. / Hillerich, B. / Seidel, R.D. / Washington, E. / Scott Glenn, A. / Chowdhury, S. / Evans, B. / Hammonds, J. / Zencheck, W.D. / Imker, H.J. / Al Obaidi, N. / Stead, M. / Love, J. / Poulter, C.D. / Gerlt, J.A. / Almo, S.C. / Enzyme Function Initiative (EFI) | ||||||
Citation | Journal: To be Published Title: CRYSTAL STRUCTURE OF ISOPRENOID SYNTHASE PATL_3739 FROM Pseudoalteromonas atlantica Authors: Patskovsky, Y. / Toro, R. / Bhosle, R. / Hillerich, B. / Seidel, R.D. / Washington, E. / Scott Glenn, A. / Chowdhury, S. / Evans, B. / Hammonds, J. / Zencheck, W.D. / Imker, H.J. / Al ...Authors: Patskovsky, Y. / Toro, R. / Bhosle, R. / Hillerich, B. / Seidel, R.D. / Washington, E. / Scott Glenn, A. / Chowdhury, S. / Evans, B. / Hammonds, J. / Zencheck, W.D. / Imker, H.J. / Al Obaidi, N. / Stead, M. / Love, J. / Poulter, C.D. / Gerlt, J.A. / Almo, S.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4jxy.cif.gz | 83 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4jxy.ent.gz | 61.3 KB | Display | PDB format |
PDBx/mmJSON format | 4jxy.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4jxy_validation.pdf.gz | 453.8 KB | Display | wwPDB validaton report |
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Full document | 4jxy_full_validation.pdf.gz | 455.3 KB | Display | |
Data in XML | 4jxy_validation.xml.gz | 15.4 KB | Display | |
Data in CIF | 4jxy_validation.cif.gz | 22.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jx/4jxy ftp://data.pdbj.org/pub/pdb/validation_reports/jx/4jxy | HTTPS FTP |
-Related structure data
Related structure data | 4gp1S S: Starting model for refinement |
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Similar structure data | |
Other databases |
-Links
-Assembly
Deposited unit |
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2 |
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3 |
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Unit cell |
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-Components
#1: Protein | Mass: 38297.117 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudoalteromonas atlantica (bacteria) / Strain: T6c / ATCC BAA-1087 / Gene: Patl_3739 / Plasmid: PET / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q15PE7, heptaprenyl diphosphate synthase |
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#2: Chemical | ChemComp-PO4 / |
#3: Chemical | ChemComp-GUA / |
#4: 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: 3.63 Å3/Da / Density % sol: 66.11 % |
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Crystal grow | pH: 7.5 Details: 0.2M HEPES:NAOH, PH 7.5, 0.8 M NaH2PO4, 0.8 M KH2PO4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.075 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jan 24, 2013 / Details: MIRRORS |
Radiation | Monochromator: Rosenbaum-Rock double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.075 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→50 Å / Num. obs: 45233 / % possible obs: 100 % / Observed criterion σ(I): -5 / Redundancy: 33.7 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 6.5 |
Reflection shell | Resolution: 1.9→1.93 Å / Redundancy: 34.1 % / Mean I/σ(I) obs: 2.8 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 4GP1 Resolution: 1.9→49.77 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.961 / SU B: 2.154 / SU ML: 0.064 / Cross valid method: THROUGHOUT / ESU R: 0.096 / ESU R Free: 0.095 / 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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 38.456 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→49.77 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.949 Å / Total num. of bins used: 20
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