+Open data
-Basic information
Entry | Database: PDB / ID: 1e1a | ||||||
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Title | Crystal structure of DFPase from Loligo vulgaris | ||||||
Components | DIISOPROPYLFLUOROPHOSPHATASE | ||||||
Keywords | PHOSPHOTRIESTERASE / CALCIUM-BINDING SITE / PHOSPHOTRIESTERASE (PTE) / SELENOMETIONINE / BETA-PROPELLER | ||||||
Function / homology | Function and homology information diisopropyl-fluorophosphatase / diisopropyl-fluorophosphatase activity / calcium ion binding Similarity search - Function | ||||||
Biological species | LOLIGO VULGARIS (squid) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.8 Å | ||||||
Authors | Koepke, J. / Scharff, E.I. / Fritzsch, G. / Luecke, C. / Rueterjans, H. | ||||||
Citation | Journal: Structure / Year: 2001 Title: Crystal Structure of Diisopropylfluorophosphatase from Loligo Vulgaris Authors: Scharff, E.I. / Koepke, J. / Fritzsch, G. / Luecke, C. / Rueterjans, H. #1: Journal: Acta Crystallogr.,Sect.D / Year: 2001 Title: Crystallization and Preliminary X-Ray Crystallographic Analysis of Dfpase from Loligo Vulgaris Authors: Scharff, E.I. / Lucke, C. / Fritzsch, G. / Koepke, J. / Hartleib, J. / Dierl, S. / Ruterjans, H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1e1a.cif.gz | 82.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1e1a.ent.gz | 61 KB | Display | PDB format |
PDBx/mmJSON format | 1e1a.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/e1/1e1a ftp://data.pdbj.org/pub/pdb/validation_reports/e1/1e1a | HTTPS FTP |
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-Related structure data
Related structure data | 2iaoC 2iapC 2iaqC 2iarC 2iasC 2iatC 2iauC 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: 35120.711 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) LOLIGO VULGARIS (squid) / Organ: HEAD GANGLION / Plasmid: PKKHISND / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: Q7SIG4*PLUS, EC: 3.1.8.2 | ||
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#2: Chemical | #3: 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: 2.19 Å3/Da / Density % sol: 43.8 % | ||||||||||||||||||||
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.1 MES, PH 6.5, 12% PEG6000, 16 DEGREES C, 2 DAYS INCUBATION | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 289 K / Method: vapor diffusion, hanging dropDetails: Scharff, E.I., (2001) Acta Crystallogr.,Sect.D, 57, 148. | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 287 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: BW7B / Wavelength: 0.8468 |
Detector | Type: MARRESEARCHESARCH / Detector: IMAGE PLATE / Date: Sep 15, 1999 / Details: MIRRORS |
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8468 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. obs: 27579 / % possible obs: 95.3 % / Redundancy: 5.26 % / Biso Wilson estimate: 9.2 Å2 / Rmerge(I) obs: 0.047 |
Reflection shell | Resolution: 1.8→1.83 Å / Rmerge(I) obs: 0.108 / % possible all: 84.4 |
Reflection | *PLUS Num. measured all: 145181 / Rmerge(I) obs: 0.052 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.8→100 Å / σ(F): 0
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Solvent computation | Solvent model: BULK SOLVENT CORRECTION / Bsol: 42.4 Å2 / ksol: 0.95 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 11 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.18 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→100 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.88 Å / Total num. of bins used: 8
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.9 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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