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- PDB-4p92: Crystal structure of dienelactone hydrolase C123S mutant at 1.65 ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4p92 | ||||||
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Title | Crystal structure of dienelactone hydrolase C123S mutant at 1.65 A resolution | ||||||
![]() | Carboxymethylenebutenolidase | ||||||
![]() | HYDROLASE / Dienelactone hydrolase / a/b hydrolase fold | ||||||
Function / homology | ![]() carboxymethylenebutenolidase / carboxymethylenebutenolidase activity / : Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Porter, J.L. / Carr, P.D. / Collyer, C.A. / Ollis, D.L. | ||||||
![]() | ![]() Title: Crystallization of dienelactone hydrolase in two space groups: structural changes caused by crystal packing. Authors: Porter, J.L. / Carr, P.D. / Collyer, C.A. / Ollis, D.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 64.4 KB | Display | ![]() |
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PDB format | ![]() | 45.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 415 KB | Display | ![]() |
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Full document | ![]() | 415 KB | Display | |
Data in XML | ![]() | 12.5 KB | Display | |
Data in CIF | ![]() | 18.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4p93C ![]() 1zi6S S: Starting model for refinement C: citing same article ( |
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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
#1: Protein | Mass: 25495.746 Da / Num. of mol.: 1 / Mutation: C123S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||
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#2: Chemical | #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.7 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.8 / Details: Ammonium sulfate, sodium citrate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SEALED TUBE / Type: OTHER / Wavelength: 1.5418 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: May 22, 2012 |
Radiation | Monochromator: mutilayer optics / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→77.46 Å / Num. obs: 31176 / % possible obs: 95.6 % / Redundancy: 7.23 % / Net I/σ(I): 50.57 |
Reflection shell | Resolution: 1.65→1.7 Å / % possible all: 91 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1ZI6 Resolution: 1.65→77.46 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.95 / SU B: 1.161 / SU ML: 0.041 / Cross valid method: THROUGHOUT / ESU R: 0.083 / ESU R Free: 0.077 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 10.331 Å2
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Refinement step | Cycle: 1 / Resolution: 1.65→77.46 Å
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Refine LS restraints |
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