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Open data
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Basic information
Entry | Database: PDB / ID: 1pjx | ||||||
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Title | 0.85 ANGSTROM STRUCTURE OF SQUID GANGLION DFPASE | ||||||
![]() | DIISOPROPYLFLUOROPHOSPHATASE | ||||||
![]() | HYDROLASE / PHOSPHOTRIESTERASE (PTE) / NITROGEN-CALCIUM COORDINATION / BETA-PROPELLER / BOND-LENGTH AND BOND-ANGLE RESTRAINTS / TORSION ANGLES / ROTAMER CLASSIFICATION | ||||||
Function / homology | ![]() diisopropyl-fluorophosphatase / diisopropyl-fluorophosphatase activity / calcium ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Koepke, J. / Rueterjans, H. / Luecke, C. / Fritzsch, G. | ||||||
![]() | ![]() Title: Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0.85 A resolution. Authors: Koepke, J. / Scharff, E.I. / Lucke, C. / Ruterjans, H. / Fritzsch, G. #1: ![]() Title: Crystallization and Preliminary X-ray Crystallographic Analysis of DFPase from Loligo Vulgaris Authors: Scharff, E.I. / Luecke, C. / Fritzsch, G. / Koepke, J. / Hartleib, J. / Dierl, S. / Rueterjans, H. #2: ![]() Title: Crystal Structure of Diisopropylfluorophosphatase from Loligo Vulgaris Authors: Scharff, E.I. / Koepke, J. / Fritzsch, G. / Luecke, C. / Rueterjans, H. #3: ![]() Title: Atomic Resolution Crystal Structure of Squid Ganglion DFPase Authors: Koepke, J. / Scharff, E.I. / Luecke, C. / Rueterjans, H. / Fritzsch, G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 102 KB | Display | ![]() |
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PDB format | ![]() | 73.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 501.4 KB | Display | ![]() |
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Full document | ![]() | 532.3 KB | Display | |
Data in XML | ![]() | 26.5 KB | Display | |
Data in CIF | ![]() | 38.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1e1aS S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 35120.711 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 10 types, 503 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/ME2.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PGE.gif)
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![](data/chem/img/GOL.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/ME2.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/DXE.gif)
![](data/chem/img/MXE.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | ChemComp-ME2 / | #4: Chemical | #5: Chemical | ChemComp-EDO / #6: Chemical | #7: Chemical | #8: Chemical | #9: Chemical | #10: Chemical | #11: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.79 Å3/Da / Density % sol: 43.34 % |
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Crystal grow | pH: 6.5 / Details: pH 6.5 |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Apr 1, 2000 / Details: BENT MIRROR |
Radiation | Monochromator: TRIANGULAR SI / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.84 Å / Relative weight: 1 |
Reflection | Resolution: 0.835→10 Å / Num. obs: 264548 / % possible obs: 93.8 % / Observed criterion σ(I): 0 / Redundancy: 3.9 % / Biso Wilson estimate: 5.9 Å2 / Rmerge(I) obs: 0.065 / Net I/σ(I): 7.7 |
Reflection shell | Resolution: 0.835→0.85 Å / Redundancy: 1.7 % / Rmerge(I) obs: 0.379 / Mean I/σ(I) obs: 1.8 / % possible all: 77.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1E1A Resolution: 0.85→10 Å / Num. parameters: 29658 / Num. restraintsaints: 30675 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY 0.04
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Refine analyze | Num. disordered residues: 63 / Occupancy sum hydrogen: 2047.3 / Occupancy sum non hydrogen: 2921.39 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.85→10 Å
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Refine LS restraints |
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