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Open data
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Basic information
Entry | Database: PDB / ID: 1s0e | ||||||
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Title | Crystal structure of botulinum neurotoxin type B at pH 6.0 | ||||||
![]() | Botulinum neurotoxin type B | ||||||
![]() | ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() Toxicity of botulinum toxin type B (botB) / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Eswaramoorthy, S. / Kumaran, D. / Keller, J. / Swaminathan, S. | ||||||
![]() | ![]() Title: Role of metals in the biological activity of Clostridium botulinum neurotoxins Authors: Eswaramoorthy, S. / Kumaran, D. / Keller, J. / Swaminathan, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 291.9 KB | Display | ![]() |
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PDB format | ![]() | 230.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1s0bC ![]() 1s0cC ![]() 1s0dC ![]() 1s0fC ![]() 1s0gC ![]() 1epwS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 150833.375 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-ZN / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.72 Å3/Da / Density % sol: 54.77 % | ||||||||||||||||||||||||
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Crystal grow![]() | Temperature: 298 K / pH: 6 Details: PEG 4000, MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 6.00 | ||||||||||||||||||||||||
Crystal grow | *PLUS pH: 6 / Method: vapor diffusionDetails: Swaminathan, S., (2000) Acta Crystallogr., Sect.D, 56, 1024. | ||||||||||||||||||||||||
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: BRANDEIS - B4 / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.9→50 Å / Num. obs: 118562 / % possible obs: 92.8 % / Observed criterion σ(I): 0 / Redundancy: 3 % / Rmerge(I) obs: 0.048 / Net I/σ(I): 11.2 |
Reflection shell | Resolution: 1.9→1.96 Å / Rmerge(I) obs: 0.308 / % possible all: 55.4 |
Reflection | *PLUS Highest resolution: 1.9 Å / Num. measured all: 368649 |
Reflection shell | *PLUS % possible obs: 55.4 % |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1EPW Resolution: 1.9→50 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: ENGH & HUBER
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Refinement step | Cycle: LAST / Resolution: 1.9→50 Å
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Refine LS restraints |
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Refinement | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 50 Å / % reflection Rfree: 2 % / Rfactor Rfree![]() ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |