+
Open data
-
Basic information
Entry | Database: PDB / ID: 1hdh | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | Arylsulfatase from Pseudomonas aeruginosa | |||||||||
![]() | Arylsulfatase![]() | |||||||||
![]() | ![]() ![]() | |||||||||
Function / homology | ![]() arylsulfatase (type I) / ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Boltes, I. / Czapinska, H. / Kahnert, A. / von Buelow, R. / Dirks, T. / Schmidt, B. / von Figura, K. / Kertesz, M.A. / Uson, I. | |||||||||
![]() | ![]() Title: 1.3 A Structure of Arylsulfatase from Pseudomonas Aeruginosa Establishes the Catalytic Mechanism of Sulfate Ester Cleavage in the Sulfatase Family. Authors: Boltes, I. / Czapinska, H. / Kahnert, A. / von Buelow, R. / Dirks, T. / Schmidt, B. / von Figura, K. / Kertesz, M.A. / Uson, I. | |||||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 226.8 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 186.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Similar structure data |
---|
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
2 | ![]()
| ||||||||
Unit cell |
| ||||||||
Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.98902, -0.00177, -0.14774), Vector ![]() |
-
Components
#1: Protein | ![]() Mass: 60019.539 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-SO4 / ![]() #4: Water | ChemComp-HOH / | ![]() |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 40 % | ||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.3 Details: PROTEIN SOLUTION: 11MG/ML IN 20 MM TRIS-HCL PH 7.5 + EQUAL VOLUME OF PRECIPITANT: 100 MM MES PH 6.3, 200 MM AMMONIUM SULFATE, 20% (W/V) PEG MONOMETHYLETHER 5000; HANGING DROP, 20 C | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18-22 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 113 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Aug 15, 1999 / Details: BENT CRYSTAL |
Radiation | Monochromator: GE SINGLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.3→20 Å / Num. obs: 255817 / % possible obs: 93.1 % / Redundancy: 1.7 % / Rmerge(I) obs: 0.062 / Net I/σ(I): 12.7 |
Reflection shell | Resolution: 1.3→1.4 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.259 / Mean I/σ(I) obs: 3.5 / % possible all: 81.5 |
Reflection | *PLUS Lowest resolution: 20 Å / Rmerge(I) obs: 0.085 |
Reflection shell | *PLUS % possible obs: 81.5 % / Rmerge(I) obs: 0.337 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure![]() ![]()
| |||||||||||||||||||||||||||||||||
Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-228 | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 17 / Occupancy sum hydrogen: 7763.36 / Occupancy sum non hydrogen: 8989.8 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.3→20 Å
| |||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||
Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.1894 / Rfactor Rfree![]() ![]() | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |