+Open data
-Basic information
Entry | Database: PDB / ID: 1hm7 | ||||||
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Title | N219L PENTALENENE SYNTHASE | ||||||
Components | PENTALENENE SYNTHASE | ||||||
Keywords | LYASE / sesquiterpene synthase / pentalenene / terpene / antibiotic biosynthesis | ||||||
Function / homology | Function and homology information pentalenene synthase / pentalenene synthase activity / antibiotic biosynthetic process / metal ion binding Similarity search - Function | ||||||
Biological species | Streptomyces sp. (bacteria) | ||||||
Method | X-RAY DIFFRACTION / FOURIER SYNTHESIS / Resolution: 2.9 Å | ||||||
Authors | Seemann, M. / Paschall, C.M. / Christianson, D.W. / Cane, D.E. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2002 Title: Pentalenene synthase. Analysis of active site residues by site-directed mutagenesis. Authors: Seemann, M. / Zhai, G. / de Kraker, J.W. / Paschall, C.M. / Christianson, D.W. / Cane, D.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hm7.cif.gz | 126 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hm7.ent.gz | 99 KB | Display | PDB format |
PDBx/mmJSON format | 1hm7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hm/1hm7 ftp://data.pdbj.org/pub/pdb/validation_reports/hm/1hm7 | HTTPS FTP |
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-Related structure data
Related structure data | 1hm4SC 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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2 |
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Unit cell |
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Details | The biological assembly is a monomer |
-Components
#1: Protein | Mass: 37918.273 Da / Num. of mol.: 2 / Mutation: N219L Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces sp. (bacteria) / Strain: UC5319 / Production host: Escherichia coli (E. coli) / References: UniProt: Q55012, EC: 4.6.1.5 #2: Water | ChemComp-HOH / | |
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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: 3.4 Å3/Da / Density % sol: 64 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7 Details: (NH4)2SO4, ethanol, MgCl2, Hepes pH 7.0, farnesyl diphosphate, VAPOR DIFFUSION, SITTING DROP at 298K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Apr 4, 2000 / Details: mirrors |
Radiation | Monochromator: Yale mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→20 Å / Num. all: 23110 / Num. obs: 23110 / % possible obs: 96.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.76 % / Biso Wilson estimate: 45.22 Å2 / Rmerge(I) obs: 0.083 / Rsym value: 0.083 / Net I/σ(I): 11.87 |
Reflection shell | Resolution: 2.9→3 Å / Redundancy: 1 % / Rmerge(I) obs: 0.404 / Mean I/σ(I) obs: 2.5 / Num. unique all: 2022 / Rsym value: 0.404 / % possible all: 95.8 |
Reflection | *PLUS Highest resolution: 2.9 Å / % possible obs: 97 % / Num. measured all: 63768 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: PDB ENTRY 1HM4 Resolution: 2.9→20 Å / Isotropic thermal model: ANISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: ENGH & HUBER
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Displacement parameters |
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.9→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.9→3 Å
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Refinement | *PLUS Lowest resolution: 20 Å / Rfactor Rwork: 0.263 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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