+Open data
-Basic information
Entry | Database: PDB / ID: 6hul | |||||||||
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Title | Sulfolobus solfataricus Tryptophan Synthase AB Complex | |||||||||
Components | (Tryptophan synthase ...) x 2 | |||||||||
Keywords | LYASE / Tryptophan Synthase PLP | |||||||||
Function / homology | Function and homology information L-serine hydro-lyase (adding indole, L-tryptophan-forming) activity / tryptophan synthase / tryptophan synthase activity / tryptophan biosynthetic process / pyridoxal phosphate binding / cytosol Similarity search - Function | |||||||||
Biological species | Sulfolobus solfataricus (archaea) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å | |||||||||
Authors | Fleming, J.R. / Mayans, O. | |||||||||
Citation | Journal: J.Mol.Biol. / Year: 2018 Title: Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole. Authors: Fleming, J.R. / Schupfner, M. / Busch, F. / Basle, A. / Ehrmann, A. / Sterner, R. / Mayans, O. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6hul.cif.gz | 273.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6hul.ent.gz | 221.6 KB | Display | PDB format |
PDBx/mmJSON format | 6hul.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6hul_validation.pdf.gz | 508.4 KB | Display | wwPDB validaton report |
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Full document | 6hul_full_validation.pdf.gz | 522 KB | Display | |
Data in XML | 6hul_validation.xml.gz | 26.6 KB | Display | |
Data in CIF | 6hul_validation.cif.gz | 36.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hu/6hul ftp://data.pdbj.org/pub/pdb/validation_reports/hu/6hul | HTTPS FTP |
-Related structure data
Related structure data | 5n2pSC 6hteSC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Tryptophan synthase ... , 2 types, 2 molecules AB
#1: Protein | Mass: 26897.320 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus solfataricus (archaea) / Gene: trpA, SSO0889 / Production host: Escherichia coli (E. coli) / References: UniProt: P50382, tryptophan synthase |
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#2: Protein | Mass: 47764.777 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sulfolobus solfataricus (archaea) / Gene: trpB1, trpB, SSO0888 / Production host: Escherichia coli (E. coli) / References: UniProt: P50383, tryptophan synthase |
-Non-polymers , 6 types, 44 molecules
#3: Chemical | ChemComp-G3P / | ||||
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#4: Chemical | ChemComp-SER / | ||||
#5: Chemical | ChemComp-PLP / | ||||
#6: Chemical | #7: Chemical | #8: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.5 Å3/Da / Density % sol: 64.81 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 10 mM potassium phosphate pH 7.5, 100 mM KCl, 50 mM L-serine, 50 mM G3P |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.9184 Å |
Detector | Type: MAR CCD 130 mm / Detector: CCD / Date: May 30, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→34.461 Å / Num. obs: 37260 / % possible obs: 99.51 % / Redundancy: 6.6 % / Rmerge(I) obs: 0.1492 / Rpim(I) all: 0.06118 / Rrim(I) all: 0.1618 / Net I/σ(I): 11.85 |
Reflection shell | Resolution: 2.5→2.641 Å |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5N2P, 6HTE Resolution: 2.55→34.461 Å / SU ML: 0.42 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.92 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.55→34.461 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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