+Open data
-Basic information
Entry | Database: PDB / ID: 6nqe | ||||||
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Title | Xanthomonas citri PGM Apo-Dephospho at room temperature | ||||||
Components | Phosphoglucomutase | ||||||
Keywords | ISOMERASE / phosphoglucomutase | ||||||
Function / homology | Function and homology information intramolecular phosphotransferase activity / carbohydrate metabolic process / magnesium ion binding Similarity search - Function | ||||||
Biological species | Xanthomonas axonopodis pv. citri (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å | ||||||
Authors | Stiers, K.M. / Beamer, L.J. | ||||||
Funding support | United States, 1items
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Citation | Journal: Struct Dyn. / Year: 2019 Title: Structural and dynamical description of the enzymatic reaction of a phosphohexomutase. Authors: Stiers, K.M. / Graham, A.C. / Zhu, J.S. / Jakeman, D.L. / Nix, J.C. / Beamer, L.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6nqe.cif.gz | 195.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6nqe.ent.gz | 154.2 KB | Display | PDB format |
PDBx/mmJSON format | 6nqe.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6nqe_validation.pdf.gz | 425.1 KB | Display | wwPDB validaton report |
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Full document | 6nqe_full_validation.pdf.gz | 426.6 KB | Display | |
Data in XML | 6nqe_validation.xml.gz | 18.3 KB | Display | |
Data in CIF | 6nqe_validation.cif.gz | 26.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nq/6nqe ftp://data.pdbj.org/pub/pdb/validation_reports/nq/6nqe | HTTPS FTP |
-Related structure data
Related structure data | 6nn1C 6nn2C 6nnnC 6nnoC 6nnpC 6nnsC 6nntC 6nnuC 6nolC 6noqC 6np8C 6npxC 6nqfC 6nqgC 5bmnS C: citing same article (ref.) S: Starting model for refinement |
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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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-Components
#1: Protein | Mass: 51351.645 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Xanthomonas axonopodis pv. citri (strain 306) (bacteria) Strain: 306 / Gene: xanA, XAC3579 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8PGN7 |
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#2: Chemical | ChemComp-MG / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 41.44 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 22% PEG 8000, 0.2M MgCl, 0.1M HEPES |
-Data collection
Diffraction | Mean temperature: 298 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 4.2.2 / Wavelength: 1.00003 Å |
Detector | Type: RDI CMOS_8M / Detector: CMOS / Date: Dec 15, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.00003 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→53.003 Å / Num. obs: 37952 / % possible obs: 100 % / Redundancy: 6.9 % / CC1/2: 0.997 / Rmerge(I) obs: 0.124 / Rpim(I) all: 0.051 / Rrim(I) all: 0.134 / Net I/σ(I): 10.1 |
Reflection shell | Resolution: 1.85→1.89 Å / Redundancy: 6.9 % / Rmerge(I) obs: 2.081 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 2257 / CC1/2: 0.375 / Rpim(I) all: 0.852 / Rrim(I) all: 2.254 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5BMN Resolution: 1.85→53.003 Å / SU ML: 0.19 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 18.64
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.85→53.003 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 |
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