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Yorodumi- PDB-6nxw: Crystal structure of Arabidopsis thaliana cytosolic triosephospha... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6nxw | ||||||
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Title | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218S mutant | ||||||
Components | Triosephosphate isomerase, cytosolic | ||||||
Keywords | ISOMERASE / Triosephosphate isomerase Crystal structure mutant dimer redox regulation | ||||||
Function / homology | Function and homology information plant-type cell wall / plasmodesma / apoplast / plant-type vacuole / triose-phosphate isomerase / triose-phosphate isomerase activity / chloroplast stroma / response to zinc ion / chloroplast / gluconeogenesis ...plant-type cell wall / plasmodesma / apoplast / plant-type vacuole / triose-phosphate isomerase / triose-phosphate isomerase activity / chloroplast stroma / response to zinc ion / chloroplast / gluconeogenesis / glycolytic process / copper ion binding / mitochondrion / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Arabidopsis thaliana (thale cress) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.95 Å | ||||||
Authors | Jimenez-Sandoval, P. / Diaz-Quezada, C. / Torres-Larios, A. / Brieba, L.G. | ||||||
Funding support | Mexico, 1items
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Citation | Journal: Plant J. / Year: 2019 Title: Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications. Authors: Castro-Torres, E. / Jimenez-Sandoval, P. / Romero-Romero, S. / Fuentes-Pascacio, A. / Lopez-Castillo, L.M. / Diaz-Quezada, C. / Fernandez-Velasco, D.A. / Torres-Larios, A. / Brieba, L.G. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6nxw.cif.gz | 203.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6nxw.ent.gz | 162.1 KB | Display | PDB format |
PDBx/mmJSON format | 6nxw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nx/6nxw ftp://data.pdbj.org/pub/pdb/validation_reports/nx/6nxw | HTTPS FTP |
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-Related 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: 27473.254 Da / Num. of mol.: 4 / Mutation: C218S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: CTIMC, At3g55440, T22E16.100 / Production host: Escherichia coli (E. coli) / References: UniProt: P48491, triose-phosphate isomerase #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: 2.39 Å3/Da / Density % sol: 48.49 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop Details: 0.2 M Magnesium chloride hexahydrate 0.1 M TRIS hydrochloride 8.5 30 % w/v Polyethylene glycol 4,000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.9787 Å |
Detector | Type: RAYONIX MX300HE / Detector: CCD / Date: Jun 26, 2017 |
Radiation | Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9787 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→75.98 Å / Num. obs: 74675 / % possible obs: 99.9 % / Redundancy: 5.9 % / CC1/2: 0.999 / Rmerge(I) obs: 0.048 / Rpim(I) all: 0.021 / Rrim(I) all: 0.052 / Net I/σ(I): 21.2 |
Reflection shell | Resolution: 1.95→1.99 Å / Redundancy: 4 % / Rmerge(I) obs: 0.169 / Num. unique obs: 4584 / CC1/2: 0.952 / Rpim(I) all: 0.095 / Rrim(I) all: 0.194 / % possible all: 99.3 |
-Processing
Software |
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Refinement | Resolution: 1.95→75.98 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.948 / SU B: 2.645 / SU ML: 0.076 / SU R Cruickshank DPI: 0.1439 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.144 / ESU R Free: 0.12 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.7 Å / Shrinkage radii: 0.7 Å / VDW probe radii: 1 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 65.74 Å2 / Biso mean: 18.833 Å2 / Biso min: 8.65 Å2
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Refinement step | Cycle: final / Resolution: 1.95→75.98 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.95→2.001 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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