+Open data
-Basic information
Entry | Database: PDB / ID: 1g01 | ||||||
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Title | ALKALINE CELLULASE K CATALYTIC DOMAIN | ||||||
Components | ENDOGLUCANASECellulase | ||||||
Keywords | HYDROLASE / Alpha/beta barrel / TIM barrel | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Bacillus sp. (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.9 Å | ||||||
Authors | Shirai, T. / Ishida, H. / Noda, J. / Yamane, T. / Ozaki, K. / Hakamada, Y. / Ito, S. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2001 Title: Crystal structure of alkaline cellulase K: insight into the alkaline adaptation of an industrial enzyme. Authors: Shirai, T. / Ishida, H. / Noda, J. / Yamane, T. / Ozaki, K. / Hakamada, Y. / Ito, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1g01.cif.gz | 97 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1g01.ent.gz | 72.1 KB | Display | PDB format |
PDBx/mmJSON format | 1g01.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/g0/1g01 ftp://data.pdbj.org/pub/pdb/validation_reports/g0/1g01 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 40367.254 Da / Num. of mol.: 1 / Fragment: ALKALINE CELLULASE K CATALYTIC DOMAIN Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus sp. (bacteria) / Strain: KSM-635 / Plasmid: PHSP-BC115B / Production host: Bacillus subtilis (bacteria) / References: UniProt: P19424, cellulase | ||||
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#2: Chemical | ChemComp-CD / #3: Chemical | ChemComp-ACY / #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 4.2 Å3/Da / Density % sol: 70.74 % | ||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: cadmium sulfate hydrate, sodium acetate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K | ||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18 ℃ | ||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU300 / Wavelength: 1.5418 |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Feb 1, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→8 Å / Num. all: 54119 / Num. obs: 49176 / % possible obs: 90.9 % / Observed criterion σ(I): 1 / Redundancy: 11.7 % / Rmerge(I) obs: 0.077 / Net I/σ(I): 20.1 |
Reflection shell | Resolution: 1.9→1.97 Å / Rmerge(I) obs: 0.202 / % possible all: 83.8 |
Reflection | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 40 Å |
Reflection shell | *PLUS % possible obs: 83.8 % / Num. unique obs: 4496 / Mean I/σ(I) obs: 5.9 |
-Processing
Software |
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Refinement | Resolution: 1.9→8 Å / σ(F): 3 / Stereochemistry target values: Engh & HUber
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Refinement step | Cycle: LAST / Resolution: 1.9→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 8 Å / σ(F): 3 / % reflection Rfree: 5 % / Rfactor obs: 0.199 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 1.97 Å / Rfactor Rfree: 0.274 / Num. reflection Rfree: 214 / % reflection Rfree: 5 % / Num. reflection obs: 4493 / Rfactor all: 0.264 |