+Open data
-Basic information
Entry | Database: PDB / ID: 3hyl | ||||||
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Title | Crystal Structure of Transketolase from Bacillus anthracis | ||||||
Components | Transketolase | ||||||
Keywords | TRANSFERASE / alpha-beta structure / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Bacillus anthracis (anthrax bacterium) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.16 Å | ||||||
Authors | Maltseva, N. / Kim, Y. / Kwon, K. / Joachimiak, A. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
Citation | Journal: To be Published Title: Crystal Structure of Transketolase from Bacillus anthracis Authors: Maltseva, N. / Kim, Y. / Kwon, K. / Joachimiak, A. / Anderson, W.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3hyl.cif.gz | 532.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3hyl.ent.gz | 455.7 KB | Display | PDB format |
PDBx/mmJSON format | 3hyl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3hyl_validation.pdf.gz | 497.7 KB | Display | wwPDB validaton report |
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Full document | 3hyl_full_validation.pdf.gz | 535.1 KB | Display | |
Data in XML | 3hyl_validation.xml.gz | 57.6 KB | Display | |
Data in CIF | 3hyl_validation.cif.gz | 81.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hy/3hyl ftp://data.pdbj.org/pub/pdb/validation_reports/hy/3hyl | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 76305.617 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus anthracis (anthrax bacterium) / Strain: Ames Ancestor / Gene: BAA_3769, tkt-2, tkt2 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-magic References: UniProt: C3P4P9, UniProt: A0A6L7H165*PLUS, transketolase |
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-Non-polymers , 7 types, 625 molecules
#2: Chemical | #3: Chemical | ChemComp-FMT / #4: Chemical | ChemComp-PEG / #5: Chemical | #6: Chemical | ChemComp-CL / | #7: Chemical | ChemComp-SO4 / | #8: 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: 2.09 Å3/Da / Density % sol: 41.14 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 5.9 Details: 0.2 M Magnesium formate pH 5.9, 20 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-BM / Wavelength: 0.97918 Å |
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Jun 4, 2009 / Details: Mirrors |
Radiation | Monochromator: Double crystal monochromator / Protocol: SAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 2.16→36.35 Å / Num. all: 67767 / Num. obs: 67767 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Biso Wilson estimate: 31.89 Å2 / Rsym value: 0.09 / Net I/σ(I): 13.6 |
Reflection shell | Resolution: 2.16→2.2 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.372 / Mean I/σ(I) obs: 4.76 / Num. unique all: 3287 / % possible all: 99.4 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.16→36.35 Å / SU ML: 0.3 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MLHL
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 47.876 Å2 / ksol: 0.347 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.16→36.35 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION
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