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- PDB-3aax: Crystal structure of probable thiosulfate sulfurtransferase cysa3... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3aax | ||||||
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Title | Crystal structure of probable thiosulfate sulfurtransferase cysa3 (RV3117) from Mycobacterium tuberculosis: monoclinic FORM | ||||||
![]() | Putative thiosulfate sulfurtransferase | ||||||
![]() | TRANSFERASE / M. tuberculosis / sulfurtransferase / Structural Genomics / PSI / Protein Structure Initiative / TB Structural Genomics Consortium (TBSGC) | ||||||
Function / homology | ![]() thiosulfate sulfurtransferase / thiosulfate sulfurtransferase activity / peptidoglycan-based cell wall / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sankaranarayanan, R. / Witholt, S.J. / Cherney, M.M. / Garen, C.R. / Cherney, L.T. / James, M.N.G. / TB Structural Genomics Consortium (TBSGC) | ||||||
![]() | ![]() Title: The crystal structure of probable thiosulfate sulfurtransferase CysA3 (Rv3117) from Mycobacterium tuberculosis Authors: Sankaranarayanan, R. / Witholt, S.J. / Cherney, M.M. / Garen, C.R. / Cherney, L.T. / James, M.N.G. #1: Journal: Acta Crystallogr.,Sect.F / Year: 2008 Title: Expression, purification, crystallization and preliminary X-ray analysis of Rv3117, a probable thiosulfate sulfurtransferase (CysA3) from Mycobacterium tuberculosis Authors: Witholt, S.J. / Sankaranarayanan, R. / Garen, C.R. / Cherney, M.M. / Cherney, L.T. / James, M.N.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 | ![]() | 116.1 KB | Display | ![]() |
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PDB format | ![]() | 90.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 436.4 KB | Display | ![]() |
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Full document | ![]() | 450.5 KB | Display | |
Data in XML | ![]() | 22.3 KB | Display | |
Data in CIF | ![]() | 30.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3aayC ![]() 1uarS C: citing same article ( S: Starting model for refinement |
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Similar structure data | |
Other databases |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 31052.516 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: O05793, UniProt: P9WHF9*PLUS, thiosulfate sulfurtransferase #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.37 Å3/Da / Density % sol: 48.21 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: Protein concentration 8mg/ml, 0.1M Tris HCl pH 8.5, Precipitant 0.2M MgCl2, 25% PEG 3350., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 30, 2007 |
Radiation | Monochromator: Double flat crystal, Si(iii) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.11587 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→45.7 Å / Num. all: 20078 / Num. obs: 20078 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.6 % / Rmerge(I) obs: 0.104 / Net I/σ(I): 11.8 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.546 / Mean I/σ(I) obs: 2.1 / Num. unique all: 2006 / % possible all: 98 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1UAR Resolution: 2.5→41.51 Å / Cor.coef. Fo:Fc: 0.928 / Cor.coef. Fo:Fc free: 0.888 / SU B: 13.117 / SU ML: 0.29 / Cross valid method: THROUGHOUT / ESU R: 1.091 / ESU R Free: 0.359 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS THE ELECTRON DENSITY FOR THE RESIDUES 1-3,180-181 IN CHAIN A AND RESIDUE 177 IN CHAIN B, IS NOT RESOLVED. HENCE, THESE RESIDUES WERE NOT MODELLED.
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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: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 50.363 Å2
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Refinement step | Cycle: LAST / Resolution: 2.5→41.51 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.5→2.565 Å / Total num. of bins used: 20
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