+Open data
-Basic information
Entry | Database: PDB / ID: 1jof | ||||||
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Title | Neurospora crassa 3-carboxy-cis,cis-mucoante lactonizing enzyme | ||||||
Components | CARBOXY-CIS,CIS-MUCONATE CYCLASE | ||||||
Keywords | ISOMERASE / BETA-PROPELLER / HOMOTETRAMER / SEMET-PROTEIN | ||||||
Function / homology | Function and homology information carboxy-cis,cis-muconate cyclase / carboxy-cis,cis-muconate cyclase activity / 6-phosphogluconolactonase activity / beta-ketoadipate pathway Similarity search - Function | ||||||
Biological species | Neurospora crassa (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 2.5 Å | ||||||
Authors | Kajander, T. / Merckel, M.C. / Thompson, A. / Deacon, A.M. / Mazur, P. / Kozarich, J.W. / Goldman, A. | ||||||
Citation | Journal: Structure / Year: 2002 Title: The structure of Neurospora crassa 3-carboxy-cis,cis-muconate lactonizing enzyme, a beta propeller cycloisomerase. Authors: Kajander, T. / Merckel, M.C. / Thompson, A. / Deacon, A.M. / Mazur, P. / Kozarich, J.W. / Goldman, A. #1: Journal: Acta Crystallogr.,Sect.D / Year: 2002 Title: 3-Carboxy-cis,cis-muconate lactonizing enzyme from Neurospora crassa: MAD phasing with 80 selenomethionines Authors: Merckel, M.C. / Kajander, T. / Deacon, A.M. / Thompson, A. / Grossmann, J.G. / Kalkkinen, N. / Goldman, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jof.cif.gz | 532.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jof.ent.gz | 458.6 KB | Display | PDB format |
PDBx/mmJSON format | 1jof.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1jof_validation.pdf.gz | 930.9 KB | Display | wwPDB validaton report |
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Full document | 1jof_full_validation.pdf.gz | 995 KB | Display | |
Data in XML | 1jof_validation.xml.gz | 113.4 KB | Display | |
Data in CIF | 1jof_validation.cif.gz | 151.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jo/1jof ftp://data.pdbj.org/pub/pdb/validation_reports/jo/1jof | 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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Details | The functional biological unit of CMLE is a hometetramer. The asymmetric unit contains two tetramers. |
-Components
#1: Protein | Mass: 41715.414 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neurospora crassa (fungus) / Production host: Escherichia coli (E. coli) References: UniProt: P38677, carboxy-cis,cis-muconate cyclase #2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-BME / #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 2 |
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-Sample preparation
Crystal | Density Matthews: 2.64 Å3/Da / Density % sol: 53.32 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 5.7 Details: PIPES, Ammonium suplhate, beta-mercapto-ethanol, pH 5.7, VAPOR DIFFUSION, SITTING DROP at 277K |
-Data collection
Diffraction |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.9137, 0.9786, 0.9795, 0.8856 | |||||||||||||||
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Dec 15, 1998 | |||||||||||||||
Radiation |
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Radiation wavelength |
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Reflection | Resolution: 2.5→20 Å / Num. all: 122302 / Num. obs: 122302 / % possible obs: 92.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rsym value: 5 | |||||||||||||||
Reflection shell | Resolution: 2.5→2.6 Å / Num. unique all: 0 / Rsym value: 15.6 / % possible all: 75.8 | |||||||||||||||
Reflection | *PLUS Lowest resolution: 20 Å / Rmerge(I) obs: 0.05 | |||||||||||||||
Reflection shell | *PLUS % possible obs: 75.8 % / Rmerge(I) obs: 0.156 / Mean I/σ(I) obs: 3.1 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 2.5→20 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.5→20 Å
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Refine LS restraints |
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Refinement | *PLUS Lowest resolution: 20 Å / Rfactor obs: 0.214 / Rfactor Rwork: 0.214 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: c_angle_deg / Dev ideal: 1.8 |