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Yorodumi- PDB-7rca: Crystal structure of Aro2p chorismate synthase from Candida lusitaniae -
+Open data
-Basic information
Entry | Database: PDB / ID: 7rca | ||||||
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Title | Crystal structure of Aro2p chorismate synthase from Candida lusitaniae | ||||||
Components | Chorismate synthase | ||||||
Keywords | LYASE / Candida / chorimsate / 5-O-(1-carboxyvinyl)-3-phosphoshikimate / alpha/beta protein / Structural genomics / CSGID / Center for Structural Genomics of Infectious Diseases / NIAID / National Institute of Allergy and Infectious Diseases | ||||||
Function / homology | Function and homology information chorismate synthase / chorismate synthase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process Similarity search - Function | ||||||
Biological species | Clavispora lusitaniae (fungus) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.26 Å | ||||||
Authors | Stogios, P.J. / Evdokimova, E. / Di Leo, R. / Savchenko, A. / Joachimiak, A. / Satchell, K.J.F. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
Funding support | United States, 1items
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Citation | Journal: To Be Published Title: Crystal structure of Aro2p chorismate synthase from Candida lusitaniae Authors: Stogios, P.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7rca.cif.gz | 177.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7rca.ent.gz | 123.5 KB | Display | PDB format |
PDBx/mmJSON format | 7rca.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7rca_validation.pdf.gz | 438.1 KB | Display | wwPDB validaton report |
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Full document | 7rca_full_validation.pdf.gz | 441.2 KB | Display | |
Data in XML | 7rca_validation.xml.gz | 16.5 KB | Display | |
Data in CIF | 7rca_validation.cif.gz | 22.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rc/7rca ftp://data.pdbj.org/pub/pdb/validation_reports/rc/7rca | HTTPS FTP |
-Related structure data
Related structure data | 1r53S S: Starting model for refinement |
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Similar structure data | |
Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 40947.004 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Clavispora lusitaniae (fungus) / Gene: Aro2 / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): -Gold / References: UniProt: A0A202G8T3, chorismate synthase | ||||
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#2: Chemical | ChemComp-SO4 / | ||||
#3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.21 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.2 Details: 0.1 M NaCl, 0.1 M HEPES pH 7.2, 1.6 M ammonium sulfate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Oct 9, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.26→30 Å / Num. obs: 17965 / % possible obs: 98.2 % / Redundancy: 13.7 % / Biso Wilson estimate: 44.85 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.082 / Rpim(I) all: 0.023 / Net I/σ(I): 29.8 |
Reflection shell | Resolution: 2.27→2.31 Å / Redundancy: 9.9 % / Rmerge(I) obs: 1.147 / Mean I/σ(I) obs: 1.1 / Num. unique obs: 726 / CC1/2: 0.798 / Rpim(I) all: 0.357 / % possible all: 80.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1r53 Resolution: 2.26→29.83 Å / SU ML: 0.2822 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 28.1785 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 61.96 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.26→29.83 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 | Refine-ID: X-RAY DIFFRACTION / Auth asym-ID: A / Label asym-ID: A
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