+Open data
-Basic information
Entry | Database: PDB / ID: 1aq0 | |||||||||
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Title | BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP | |||||||||
Components | 1,3-1,4-BETA-GLUCANASE | |||||||||
Keywords | HYDROLASE / GLYCOSIDASE / GLYCOPROTEIN / GLYCOSYLATED PROTEIN | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Hordeum vulgare (barley) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2 Å | |||||||||
Authors | Mueller, J.J. / Thomsen, K.K. / Heinemann, U. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 1998 Title: Crystal structure of barley 1,3-1,4-beta-glucanase at 2.0-A resolution and comparison with Bacillus 1,3-1,4-beta-glucanase. Authors: Muller, J.J. / Thomsen, K.K. / Heinemann, U. #1: Journal: Plant Physiol.Biochem. (Paris) / Year: 1995 Title: Analysis of Glycan Structures of Barley (1-3,1-4)-Beta-D Glucan 4-Glucanohydrolase Isoenzyme Eii Authors: Harthill, J.E. / Thomsen, K.K. #2: Journal: J.Mol.Biol. / Year: 1993 Title: Crystallization of Barley (1-3,1-4)-Beta-Glucanase, Isoenzyme II Authors: Keitel, T. / Thomsen, K.K. / Heinemann, U. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1aq0.cif.gz | 130.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1aq0.ent.gz | 104.7 KB | Display | PDB format |
PDBx/mmJSON format | 1aq0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1aq0_validation.pdf.gz | 523.6 KB | Display | wwPDB validaton report |
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Full document | 1aq0_full_validation.pdf.gz | 527.1 KB | Display | |
Data in XML | 1aq0_validation.xml.gz | 12.9 KB | Display | |
Data in CIF | 1aq0_validation.cif.gz | 22 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/aq/1aq0 ftp://data.pdbj.org/pub/pdb/validation_reports/aq/1aq0 | HTTPS FTP |
-Related structure data
Related structure data | 1ghrS 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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.3572, 0.21075, -0.90994), Vector: |
-Components
#1: Protein | Mass: 32141.320 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: ISOENZYME 2 / Source: (natural) Hordeum vulgare (barley) / References: UniProt: P12257, licheninase #2: Polysaccharide | Source method: isolated from a genetically manipulated source #3: Chemical | #4: 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: 2.41 Å3/Da / Density % sol: 25.2 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion / pH: 5.8 Details: PROTEIN SOLUTION: 20MM NAOAC/HOAC (PH 4.6), 2MM CACL2, C=60MG/ML. DROPLETS SIZE: 0.001 ML PROTEIN SOLUTION, 0.001 ML RESERVOIR SOLUTION; RESERVOIR SOLUTION: 100MM NAOAC/HOAC (PH 5.8), ...Details: PROTEIN SOLUTION: 20MM NAOAC/HOAC (PH 4.6), 2MM CACL2, C=60MG/ML. DROPLETS SIZE: 0.001 ML PROTEIN SOLUTION, 0.001 ML RESERVOIR SOLUTION; RESERVOIR SOLUTION: 100MM NAOAC/HOAC (PH 5.8), 20%(W/W) POLYETHYLENE GLYCOL 8000; VAPOUR DIFFUSION, FOUR DAYS, vapor diffusion | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion / Details: Keitel, T., (1993) J.Mol.Biol., 232, 1003. | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 294.2 K |
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Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS FR571 / Wavelength: 1.5418 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Oct 1, 1992 / Details: PINHOLE |
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→13.65 Å / Num. obs: 40727 / % possible obs: 99.21 % / Observed criterion σ(I): 2 / Biso Wilson estimate: 14.35 Å2 / Rsym value: 0.081 |
Reflection shell | Resolution: 2→2.09 Å / % possible all: 96.61 |
Reflection | *PLUS Rmerge(I) obs: 0.081 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1GHR Resolution: 2→13.6 Å / Rfactor Rfree error: 0.0058 / Data cutoff high absF: 100000 / Data cutoff low absF: 0.1 / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 14.2 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→13.6 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: RESTRAINTS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2→2.09 Å / Rfactor Rfree error: 0.015 / Total num. of bins used: 8
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Xplor file |
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Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.17 / Rfactor Rwork: 0.17 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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