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Yorodumi- PDB-1l0z: THE STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH XENON... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1l0z | ||||||
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Title | THE STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH XENON AND BROMIDE, CRYOPROTECTED WITH DRY PARAFFIN OIL | ||||||
Components | ELASTASE 1 | ||||||
Keywords | HYDROLASE / Xenon / Bromide / PPE | ||||||
Function / homology | Function and homology information pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Sus scrofa (pig) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAS / Resolution: 1.5 Å | ||||||
Authors | Tucker, P.A. / Panjikar, S. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2002 Title: Xenon derivatization of halide-soaked protein crystals. Authors: Panjikar, S. / Tucker, P.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1l0z.cif.gz | 68.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1l0z.ent.gz | 48.8 KB | Display | PDB format |
PDBx/mmJSON format | 1l0z.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1l0z_validation.pdf.gz | 430.2 KB | Display | wwPDB validaton report |
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Full document | 1l0z_full_validation.pdf.gz | 432.4 KB | Display | |
Data in XML | 1l0z_validation.xml.gz | 15 KB | Display | |
Data in CIF | 1l0z_validation.cif.gz | 23 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/l0/1l0z ftp://data.pdbj.org/pub/pdb/validation_reports/l0/1l0z | HTTPS FTP |
-Related structure data
Related structure data | 1l1gC 1qnjS S: Starting model for refinement C: citing same article (ref.) |
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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: 25929.016 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Sus scrofa (pig) / Tissue: PANCREAS / References: UniProt: P00772, pancreatic elastase | ||||
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#2: Chemical | ChemComp-NA / | ||||
#3: Chemical | ChemComp-BR / #4: Chemical | ChemComp-XE / | #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: 2.03 Å3/Da / Density % sol: 39.3 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 10 mM sodium acetate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystal grow | *PLUS Details: Shotton, D.M., (1968) J. Mol. Biol., 32, 155. |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X13 / Wavelength: 0.8 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Oct 28, 2001 |
Radiation | Protocol: SAS / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→35 Å / Num. all: 34498 / Num. obs: 34498 / % possible obs: 99 % / Observed criterion σ(I): -3 / Redundancy: 17.34 % / Biso Wilson estimate: 15.9 Å2 / Rmerge(I) obs: 0.044 |
Reflection | *PLUS Highest resolution: 1.5 Å / Lowest resolution: 35 Å / % possible obs: 99 % / Redundancy: 17.3 % / Num. measured all: 598060 |
Reflection shell | *PLUS Highest resolution: 1.5 Å / Lowest resolution: 1.53 Å / % possible obs: 100 % / Redundancy: 11.3 % / Rmerge(I) obs: 0.18 / Mean I/σ(I) obs: 10 |
-Processing
Software |
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Refinement | Method to determine structure: SAS Starting model: PDB ENTRY 1QNJ Resolution: 1.5→35 Å / Isotropic thermal model: Individual / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.5→35 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 35 Å | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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