+Open data
-Basic information
Entry | Database: PDB / ID: 4xg1 | ||||||
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Title | Psychromonas ingrahamii diaminopimelate decarboxylase with LLP | ||||||
Components | Diaminopimelate decarboxylase | ||||||
Keywords | LYASE / lysine biosynthesis / psychrophile / TIM barrel | ||||||
Function / homology | Function and homology information diaminopimelate decarboxylase / diaminopimelate decarboxylase activity / lysine biosynthetic process via diaminopimelate / pyridoxal phosphate binding Similarity search - Function | ||||||
Biological species | Psychromonas ingrahamii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Peverelli, M.G. / Wubben, J.M. / Panjikar, S. / Perugini, M.A. | ||||||
Citation | Journal: To Be Published Title: Expression to crystallization of diaminopimelate decarboxylase from the psychrophile Psychromonas ingrahamii Authors: Peverelli, M.G. / Newman, J. / Panjikar, S. / Perugini, M.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4xg1.cif.gz | 332.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4xg1.ent.gz | 266.4 KB | Display | PDB format |
PDBx/mmJSON format | 4xg1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xg/4xg1 ftp://data.pdbj.org/pub/pdb/validation_reports/xg/4xg1 | HTTPS FTP |
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-Related structure data
Related structure data | 3n2bS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 0 / Beg auth comp-ID: ASP / Beg label comp-ID: ASP / End auth comp-ID: ILE / End label comp-ID: ILE / Refine code: 0 / Auth seq-ID: 2 - 421 / Label seq-ID: 2 - 421
NCS ensembles :
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-Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 47330.066 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Psychromonas ingrahamii (bacteria) / Strain: 37 / Gene: lysA, Ping_0041 / Plasmid: pET11a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A1SR00, diaminopimelate decarboxylase |
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-Non-polymers , 5 types, 415 molecules
#2: Chemical | ChemComp-SCN / #3: Chemical | ChemComp-K / #4: Chemical | ChemComp-TME / #5: Chemical | ChemComp-LLP / ( #6: 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: 2.21 Å3/Da / Density % sol: 44.3 % / Description: Triangular prism |
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Crystal grow | Temperature: 281 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 28%(W/V) PEG 3350, 100mM BIS-TRIS PROPANE (PH 6.0), 200mM POTASSIUM THIOCYANATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 281K PH range: 6 / Temp details: Temperature controlled cold room |
-Data collection
Diffraction | Mean temperature: 100 K Ambient temp details: Crystal flash frozen in cold room and stored in puck until data collection |
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Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.954 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 28, 2014 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.954 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→69.17 Å / Num. obs: 58922 / % possible obs: 99.8 % / Redundancy: 7.3 % / Rmerge(I) obs: 0.072 / Rsym value: 0.077 / Net I/σ(I): 20.3 |
Reflection shell | Resolution: 2.5→2.64 Å / Redundancy: 7.5 % / Rmerge(I) obs: 0.146 / Mean I/σ(I) obs: 11.6 / Rsym value: 0.157 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ID 3N2B Resolution: 2.5→19.85 Å / Cor.coef. Fo:Fc: 0.919 / Cor.coef. Fo:Fc free: 0.898 / SU B: 10.655 / SU ML: 0.233 / Cross valid method: THROUGHOUT / ESU R: 0.806 / ESU R Free: 0.294 / 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: 31.382 Å2
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Refinement step | Cycle: LAST / Resolution: 2.5→19.85 Å
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Refine LS restraints |
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