+Open data
-Basic information
Entry | Database: PDB / ID: 5ajl | ||||||
---|---|---|---|---|---|---|---|
Title | Sdsa sulfatase tetragonal | ||||||
Components | ALKYL SULFATASE | ||||||
Keywords | HYDROLASE / POLYMORPHS / CRYSTAL CONTACTS | ||||||
Function / homology | Function and homology information linear primary-alkylsulfatase / linear primary-alkylsulfatase activity / dodecyl sulfate metabolic process / periplasmic space / protein dimerization activity / identical protein binding / metal ion binding Similarity search - Function | ||||||
Biological species | PSEUDOMONAS AERUGINOSA (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.45 Å | ||||||
Authors | De la Mora, E. / Flores-Hernandez, E. / Jakoncic, J. / Stojanoff, V. / Sanchez-Puig, N. / Moreno, A. | ||||||
Citation | Journal: J.Appl.Crystallogr. / Year: 2015 Title: Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques Authors: De La Mora, E. / Flores-Hernandez, E. / Jakoncic, J. / Stojanoff, V. / Siliqi, D. / Sanchez-Puig, N. / Moreno, A. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 5ajl.cif.gz | 502.9 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb5ajl.ent.gz | 425.1 KB | Display | PDB format |
PDBx/mmJSON format | 5ajl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5ajl_validation.pdf.gz | 446.5 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 5ajl_full_validation.pdf.gz | 483.2 KB | Display | |
Data in XML | 5ajl_validation.xml.gz | 47.1 KB | Display | |
Data in CIF | 5ajl_validation.cif.gz | 63.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/aj/5ajl ftp://data.pdbj.org/pub/pdb/validation_reports/aj/5ajl | HTTPS FTP |
-Related structure data
Related structure data | 5a23C 5aijC 2cg3S S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 72673.031 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / Variant (production host): C41 / References: UniProt: V9UAA9, UniProt: Q9I5I9*PLUS #2: Chemical | ChemComp-ZN / |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.7 Å3/Da / Density % sol: 53.8 % / Description: NONE |
---|---|
Crystal grow | pH: 7 Details: 12% PEG 4000, 10% ISOPROPANOL, 200 MM LICL, 100 MM CITRATE BUFFER PH 6.0. |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X6A / Wavelength: 1.078 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Feb 15, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.078 Å / Relative weight: 1 |
Reflection | Resolution: 3.48→20 Å / Num. obs: 18672 / % possible obs: 97.6 % / Observed criterion σ(I): 1.65 / Redundancy: 5 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 12.11 |
Reflection shell | Resolution: 3.48→3.68 Å / Redundancy: 4.6 % / Rmerge(I) obs: 0.83 / Mean I/σ(I) obs: 1.65 / % possible all: 88.9 |
-Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2CG3 Resolution: 3.45→52.61 Å / Cor.coef. Fo:Fc: 0.919 / Cor.coef. Fo:Fc free: 0.88 / SU B: 123.296 / SU ML: 0.784 / Cross valid method: THROUGHOUT / ESU R Free: 0.739 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: U VALUES WITH TLS ADDED. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 130.155 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.45→52.61 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|