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Yorodumi- PDB-5wuy: Crystal structure of chorismate synthase from Acinetobacter bauma... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5wuy | ||||||
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Title | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | ||||||
Components | Chorismate synthase | ||||||
Keywords | LYASE | ||||||
Function / homology | Function and homology information chorismate synthase / chorismate synthase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process Similarity search - Function | ||||||
Biological species | Acinetobacter baumannii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Iqbal, N. / Chaudhary, A. / Shukla, K.P. / Kaur, P. / Sharma, S. / Singh, T.P. | ||||||
Citation | Journal: To Be Published Title: Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution Authors: Iqbal, N. / Chaudhary, A. / Shukla, K.P. / Kaur, P. / Sharma, S. / Singh, T.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5wuy.cif.gz | 122.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5wuy.ent.gz | 93 KB | Display | PDB format |
PDBx/mmJSON format | 5wuy.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wu/5wuy ftp://data.pdbj.org/pub/pdb/validation_reports/wu/5wuy | HTTPS FTP |
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-Related structure data
Related structure data | 4ob9SC 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: ALA / End label comp-ID: ALA / Refine code: _ / Auth seq-ID: 1 - 352 / Label seq-ID: 1 - 352
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-Components
#1: Protein | Mass: 39051.184 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii (bacteria) / Gene: aroC / Production host: Escherichia coli (E. coli) References: UniProt: A0A081GZ37, UniProt: B0VDX7*PLUS, chorismate synthase #2: 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: 2.27 Å3/Da / Density % sol: 45.89 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: 50mm tris-HCl, 0.2M MgCl2, 20% PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.97 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Aug 13, 2013 / Details: MIRROR |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→108.38 Å / Num. obs: 23133 / % possible obs: 92 % / Redundancy: 4.6 % / Rsym value: 0.18 / Net I/σ(I): 15.3 |
Reflection shell | Resolution: 2.5→2.55 Å / Mean I/σ(I) obs: 1.8 / % possible all: 94 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4OB9 Resolution: 2.5→89.79 Å / Cor.coef. Fo:Fc: 0.926 / Cor.coef. Fo:Fc free: 0.89 / SU B: 11.764 / SU ML: 0.248 / Cross valid method: THROUGHOUT / ESU R: 0.549 / ESU R Free: 0.296 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 47.942 Å2
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Refinement step | Cycle: 1 / Resolution: 2.5→89.79 Å
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Refine LS restraints |
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