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- PDB-2cg2: Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas ae... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2cg2 | ||||||
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Title | Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with sulfate | ||||||
![]() | SDSA1 | ||||||
![]() | HYDROLASE / SDS-HYDROLASE / SDSA1 / PSEUDOMONAS AERUGINOSA | ||||||
Function / homology | ![]() linear primary-alkylsulfatase / linear primary-alkylsulfatase activity / dodecyl sulfate metabolic process / outer membrane-bounded periplasmic space / protein dimerization activity / identical protein binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Hagelueken, G. / Adams, T.M. / Wiehlmann, L. / Widow, U. / Kolmar, H. / Tuemmler, B. / Heinz, D.W. / Schubert, W.-D. | ||||||
![]() | ![]() Title: The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases. Authors: Hagelueken, G. / Adams, T.M. / Wiehlmann, L. / Widow, U. / Kolmar, H. / Tummler, B. / Heinz, D.W. / Schubert, W. | ||||||
History |
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Remark 650 | HELIX DETERMINATION METHOD: AUTHOR PROVIDED. | ||||||
Remark 700 | SHEET DETERMINATION METHOD: AUTHOR PROVIDED. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 151.1 KB | Display | ![]() |
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PDB format | ![]() | 118.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 439.2 KB | Display | ![]() |
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Full document | ![]() | 444.5 KB | Display | |
Data in XML | ![]() | 27.4 KB | Display | |
Data in CIF | ![]() | 41.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2cfuC ![]() 2cfzC ![]() 2cg3SC C: citing same article ( 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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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 72673.031 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-SO4 / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.7 Å3/Da / Density % sol: 54.6 % |
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Crystal grow | pH: 6 Details: 12% PEG4000, 10% ISOPROPANOL, 0.2M LICL, 0.1M CITRATE PH6, pH 6.00 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 28, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8048 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→30 Å / Num. obs: 46750 / % possible obs: 98.7 % / Observed criterion σ(I): 3 / Redundancy: 5.5 % / Biso Wilson estimate: 22.1 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 15 |
Reflection shell | Resolution: 2.1→2.2 Å / Redundancy: 6.3 % / Rmerge(I) obs: 0.27 / Mean I/σ(I) obs: 6 / % possible all: 99.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2CG3 Resolution: 2.1→74.12 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.921 / SU B: 3.916 / SU ML: 0.107 / Cross valid method: THROUGHOUT / ESU R: 0.183 / ESU R Free: 0.164 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.86 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→74.12 Å
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Refine LS restraints |
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