+Open data
-Basic information
Entry | Database: PDB / ID: 3tf4 | |||||||||
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Title | ENDO/EXOCELLULASE:CELLOTRIOSE FROM THERMOMONOSPORA | |||||||||
Components | T. FUSCA ENDO/EXO-CELLULASE E4 CATALYTIC DOMAIN AND CELLULOSE-BINDING DOMAIN | |||||||||
Keywords | GLYCOSYL HYDROLASE | |||||||||
Function / homology | Function and homology information cellulose binding / cellulase / cellulase activity / cellulose catabolic process Similarity search - Function | |||||||||
Biological species | Thermobifida fusca (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / MIR / Resolution: 2.2 Å | |||||||||
Authors | Sakon, J. / Wilson, D.B. / Karplus, P.A. | |||||||||
Citation | Journal: Nat.Struct.Biol. / Year: 1997 Title: Structure and mechanism of endo/exocellulase E4 from Thermomonospora fusca. Authors: Sakon, J. / Irwin, D. / Wilson, D.B. / Karplus, P.A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3tf4.cif.gz | 275.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3tf4.ent.gz | 223.9 KB | Display | PDB format |
PDBx/mmJSON format | 3tf4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3tf4_validation.pdf.gz | 1010.1 KB | Display | wwPDB validaton report |
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Full document | 3tf4_full_validation.pdf.gz | 1018.9 KB | Display | |
Data in XML | 3tf4_validation.xml.gz | 57.3 KB | Display | |
Data in CIF | 3tf4_validation.cif.gz | 87.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tf/3tf4 ftp://data.pdbj.org/pub/pdb/validation_reports/tf/3tf4 | HTTPS FTP |
-Related structure data
-Links
-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: (0.272878, 0.698058, 0.662007), Vector: |
-Components
#1: Protein | Mass: 67216.750 Da / Num. of mol.: 2 / Fragment: CATALYTIC DOMAIN AND CELLULOSE-BINDING DOMAIN Source method: isolated from a genetically manipulated source Details: CRYSTAL SOAKED IN 0.3M CELLOTRIOSE / Source: (gene. exp.) Thermobifida fusca (bacteria) / Gene: BAMH1-PST1 FRAGMENT OF T. FUSC / Plasmid: PIJ702 / Species (production host): Streptomyces lividans Gene (production host): BAMH1-PST1 FRAGMENT OF T. FUSCA GENOMIC DNA CARRYING NATIVE E4 GENE Production host: Streptomyces lividans TK24 (bacteria) / Strain (production host): TK24 / References: UniProt: P26221, cellulase #2: Polysaccharide | #3: Sugar | #4: Chemical | ChemComp-CA / #5: 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: 3.1 Å3/Da / Density % sol: 52 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / pH: 5.8 Details: 90MG/ML E4-68 26% PEG8000 0.7M LICL 0.1M NA CITRATE, PH5.8 4 DEGREE, temperature 277K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 287 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: XUONG-HAMLIN MULTIWIRE / Detector: AREA DETECTOR / Date: Jun 1, 1996 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→8 Å / Num. obs: 79650 / % possible obs: 93 % / Observed criterion σ(I): 0 / Redundancy: 4.1 % / Rmerge(I) obs: 0.12 / Rsym value: 0.18 / Net I/σ(I): 7 |
Reflection shell | Resolution: 2.2→2.3 Å / Redundancy: 1.4 % / Rmerge(I) obs: 0.28 / Mean I/σ(I) obs: 2 / Rsym value: 0.43 / % possible all: 64 |
Reflection shell | *PLUS % possible obs: 64 % |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 2.2→8 Å / Isotropic thermal model: RESTRAINED / σ(F): 0
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Displacement parameters | Biso mean: 20 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→8 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: RESTRAINED | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.2→2.3 Å / Rfactor Rwork: 0.38 / Total num. of bins used: 10 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: X-PLOR / Version: 3.8 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Num. reflection obs: 77788 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: x_improper_angle_deg / Dev ideal: 1.6 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor obs: 0.38 |