+Open data
-Basic information
Entry | Database: PDB / ID: 1fcj | ||||||
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Title | CRYSTAL STRUCTURE OF OASS COMPLEXED WITH CHLORIDE AND SULFATE | ||||||
Components | O-ACETYLSERINE SULFHYDRYLASE | ||||||
Keywords | LYASE / homodimer | ||||||
Function / homology | Function and homology information cysteine synthase / cysteine synthase activity / L-cysteine desulfhydrase activity / cysteine biosynthetic process from serine / cytoplasm Similarity search - Function | ||||||
Biological species | Salmonella typhimurium (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2 Å | ||||||
Authors | Burkhard, P. / Tai, C. / Jansonius, J.N. / Cook, P.F. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2000 Title: Identification of an allosteric anion-binding site on O-acetylserine sulfhydrylase: structure of the enzyme with chloride bound. Authors: Burkhard, P. / Tai, C.H. / Jansonius, J.N. / Cook, P.F. #1: Journal: J.Mol.Biol. / Year: 1999 Title: Lingand binding induces a large conformational change in O-acetylserine sulfhydrylase from salmonella typhimurium Authors: Burkhard, P. / Tai, C. / Ristroph, C.M. / Cook, P.F. / Jansonius, J.N. #2: Journal: J.Mol.Biol. / Year: 1998 Title: Three-dimensional structure of O-acetylserine sulfhydrylase from salmonella typhimurium Authors: Burkhard, P. / Jagannatha Rao, G.S. / Hohenester, E. / Schnackerz, K.D. / Cook, P.F. / Jansonius, J.N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1fcj.cif.gz | 257.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1fcj.ent.gz | 213.5 KB | Display | PDB format |
PDBx/mmJSON format | 1fcj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1fcj_validation.pdf.gz | 500.2 KB | Display | wwPDB validaton report |
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Full document | 1fcj_full_validation.pdf.gz | 530.9 KB | Display | |
Data in XML | 1fcj_validation.xml.gz | 59.8 KB | Display | |
Data in CIF | 1fcj_validation.cif.gz | 86.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fc/1fcj ftp://data.pdbj.org/pub/pdb/validation_reports/fc/1fcj | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
-Links
-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: 34470.422 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Salmonella typhimurium (bacteria) / References: UniProt: P0A1E3, EC: 4.2.99.8 #2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-CL / #4: Chemical | ChemComp-PLP / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 50.93 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.7 Details: Peg 4000, Tris-HCl, lithium sulfate, DMSO, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 20K | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Details: drop consists of equal amounts of protein and reservoir solutions | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: ELLIOTT GX-20 / Wavelength: 1.5418 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jan 6, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Biso Wilson estimate: 16.7 Å2 |
Reflection | *PLUS Highest resolution: 2 Å / Lowest resolution: 30 Å / Num. obs: 84421 / % possible obs: 89.6 % / Rmerge(I) obs: 0.074 |
Reflection shell | *PLUS % possible obs: 85.3 % / Rmerge(I) obs: 0.296 / Mean I/σ(I) obs: 2.3 |
-Processing
Software |
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Refinement | Resolution: 2→28.13 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 2867402.55 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 67.886 Å2 / ksol: 0.369876 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.8 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→28.13 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: CONSTR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.011 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / Rfactor Rfree: 0.247 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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