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Yorodumi- PDB-1jgu: STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1jgu | ||||||
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Title | STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4 | ||||||
Components |
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Keywords | IMMUNE SYSTEM / IgG fold | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Larsen, N.A. / Heine, A. / Crane, L. / Cravatt, B.F. / Lerner, R.A. / Wilson, I.A. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2001 Title: Structural basis for a disfavored elimination reaction in catalytic antibody 1D4. Authors: Larsen, N.A. / Heine, A. / Crane, L. / Cravatt, B.F. / Lerner, R.A. / Wilson, I.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jgu.cif.gz | 101 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jgu.ent.gz | 79.9 KB | Display | PDB format |
PDBx/mmJSON format | 1jgu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jg/1jgu ftp://data.pdbj.org/pub/pdb/validation_reports/jg/1jgu | 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
#1: Antibody | Mass: 24206.891 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: purified from ascites fluid / Source: (natural) Mus musculus (house mouse) / Strain: Balbc / References: GenBank: 522337, UniProt: Q52L64*PLUS |
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#2: Antibody | Mass: 23493.463 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: purified from ascites fluid / Source: (natural) Mus musculus (house mouse) / Strain: Balbc / References: UniProt: Q91Z05*PLUS |
#3: Chemical | ChemComp-OH / |
#4: Chemical | ChemComp-HBC / ( |
#5: 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: 2.31 Å3/Da / Density % sol: 46.84 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: PEG 4K, 10% isopropanol, 10% HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 23K | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5.5 / Method: unknown | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL7-1 / Wavelength: 1.08 Å |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jan 17, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→20 Å / Num. all: 40444 / Num. obs: 40444 / % possible obs: 99.2 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 2.5 % / Biso Wilson estimate: 27 Å2 / Rmerge(I) obs: 0.039 / Net I/σ(I): 14 |
Reflection shell | Highest resolution: 1.8 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.493 / % possible all: 99 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.8→20 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.8→20 Å
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Refine LS restraints |
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Software | *PLUS Name: CNS / Classification: refinement | |||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 20 Å / σ(F): 0 | |||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||
Refine LS restraints | *PLUS
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