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Open data
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Basic information
Entry | Database: PDB / ID: 1ps1 | ||||||
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Title | PENTALENENE SYNTHASE | ||||||
![]() | PENTALENENE SYNTHASE | ||||||
![]() | ANTIBIOTIC BIOSYNTHESIS / SESQUITERPENE CYCLASE / LYASE | ||||||
Function / homology | ![]() pentalenene synthase / pentalenene synthase activity / antibiotic biosynthetic process / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Lesburg, C.A. / Christianson, D.W. | ||||||
![]() | ![]() Title: Crystal structure of pentalenene synthase: mechanistic insights on terpenoid cyclization reactions in biology. Authors: Lesburg, C.A. / Zhai, G. / Cane, D.E. / Christianson, D.W. #1: ![]() Title: Crystallization and Preliminary X-Ray Diffraction Analysis of Recombinant Pentalenene Synthase Authors: Lesburg, C.A. / Lloyd, M.D. / Cane, D.E. / Christianson, D.W. #2: ![]() Title: Pentalenene Synthase. Purification, Molecular Cloning, Sequencing, and High-Level Expression in Escherichia Coli of a Terpenoid Cyclase from Streptomyces Uc5319 Authors: Cane, D.E. / Sohng, J.K. / Lamberson, C.R. / Rudnicki, S.M. / Wu, Z. / Lloyd, M.D. / Oliver, J.S. / Hubbard, B.R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 125.9 KB | Display | ![]() |
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PDB format | ![]() | 105.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 385.2 KB | Display | ![]() |
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Full document | ![]() | 399.5 KB | Display | |
Data in XML | ![]() | 14.2 KB | Display | |
Data in CIF | ![]() | 21.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.298373, -0.228446, -0.926707), Vector: |
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Components
#1: Protein | Mass: 38050.414 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-PBM / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.4 Å3/Da / Density % sol: 64 % | |||||||||||||||||||||||||
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Crystal grow | pH: 7 Details: CRYSTALLIZED FROM 1.5M AMMONIUM SULFATE, 100 MM HEPES, PH 7.0 | |||||||||||||||||||||||||
Crystal | *PLUS | |||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop / Details: Lesburg, C.A., (1995) Protein Sci., 4, 2436. | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: PRINCETON 2K / Detector: CCD / Date: Sep 1, 1996 / Details: MIRRORS |
Radiation | Monochromator: SI(111) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.914 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→35 Å / Num. obs: 28128 / % possible obs: 87.5 % / Observed criterion σ(I): 0 / Redundancy: 2.5 % / Rsym value: 0.056 / Net I/σ(I): 13.8 |
Reflection shell | Resolution: 2.6→2.69 Å / Rsym value: 0.158 / % possible all: 57.7 |
Reflection | *PLUS Num. measured all: 70683 / Rmerge(I) obs: 0.056 |
Reflection shell | *PLUS Rmerge(I) obs: 0.158 |
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Processing
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Refinement | Method to determine structure: ![]()
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Displacement parameters | Biso mean: 52.1 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→20 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: RESTRAINTS / Rms dev Biso : 17.4 Å2 / Rms dev position: 0.43 Å / Weight Biso : 44.4 / Weight position: 9 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.6→2.66 Å / Rfactor Rfree error: 0.058 / Total num. of bins used: 15
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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