+Open data
-Basic information
Entry | Database: PDB / ID: 4j9j | ||||||
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Title | Structure of designed HisF | ||||||
Components | Imidazole glycerol phosphate synthase subunit HisF | ||||||
Keywords | LYASE / beta barrel / protein engineering | ||||||
Function / homology | Function and homology information imidazole glycerol-phosphate synthase / imidazoleglycerol-phosphate synthase activity / L-histidine biosynthetic process / lyase activity / cytoplasm Similarity search - Function | ||||||
Biological species | Thermotoga maritima (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Sterner, R. / Rajendran, C. / Sperl, J. | ||||||
Citation | Journal: Febs Lett. / Year: 2013 Title: Establishing catalytic activity on an artificial ( beta alpha )8-barrel protein designed from identical half-barrels. Authors: Sperl, J.M. / Rohweder, B. / Rajendran, C. / Sterner, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4j9j.cif.gz | 59.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4j9j.ent.gz | 42.3 KB | Display | PDB format |
PDBx/mmJSON format | 4j9j.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/j9/4j9j ftp://data.pdbj.org/pub/pdb/validation_reports/j9/4j9j | HTTPS FTP |
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-Related structure data
Related structure data | 3og3S S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 26326.293 Da / Num. of mol.: 1 / Fragment: SEE REMARK 999 / Mutation: S6I,V45A,T76A,D81G,D156G,D202V Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermotoga maritima (bacteria) / Strain: ATCC 43589 / MSB8 / DSM 3109 / JCM 10099 / Gene: hisF, TM_1036 / Plasmid: pET24 / Production host: Escherichia coli (E. coli) References: UniProt: Q9X0C6, Lyases; Carbon-carbon lyases; Oxo-acid-lyases |
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#2: Water | ChemComp-HOH / |
Sequence details | PROTEIN IS AN ENGINEERED |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.35 Å3/Da / Density % sol: 47.58 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1.7 Å |
Detector | Type: DECTRIS PILATUS 2M-F / Detector: PIXEL |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.7 Å / Relative weight: 1 |
Reflection | Resolution: 1.805→41.712 Å / Num. obs: 10548 / % possible obs: 99.2 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3OG3 Resolution: 2.3→41.712 Å / SU ML: 0.32 / σ(F): 1.01 / Phase error: 32.72 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→41.712 Å
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Refine LS restraints |
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LS refinement shell |
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