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Yorodumi- PDB-5oq1: Crystal structure of Serratia marcescens ChiX (used as MR model f... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5oq1 | |||||||||
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Title | Crystal structure of Serratia marcescens ChiX (used as MR model for superior PDB 5OPZ) | |||||||||
Components | ChiX | |||||||||
Keywords | HYDROLASE / L-Ala D-Glu endopeptidase Serratia marcescens chitinase secretion anomalous dispersion Zinc enzyme | |||||||||
Function / homology | : Function and homology information | |||||||||
Biological species | Serratia marcescens (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.34 Å | |||||||||
Authors | Owen, R.A. / Fyfe, P.K. / Lodge, A. / Biboy, J. / Vollmer, W. / Hunter, W.N. / Sargent, F. | |||||||||
Funding support | United Kingdom, 2items
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Citation | Journal: Biochem. J. / Year: 2018 Title: Structure and activity of ChiX: a peptidoglycan hydrolase required for chitinase secretion by Serratia marcescens. Authors: Owen, R.A. / Fyfe, P.K. / Lodge, A. / Biboy, J. / Vollmer, W. / Hunter, W.N. / Sargent, F. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5oq1.cif.gz | 143.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5oq1.ent.gz | 118.4 KB | Display | PDB format |
PDBx/mmJSON format | 5oq1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oq/5oq1 ftp://data.pdbj.org/pub/pdb/validation_reports/oq/5oq1 | 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
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-Components
#1: Protein | Mass: 15484.649 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Serratia marcescens (bacteria) / Strain: Db10 / Gene: ERS381432_02813 / Plasmid: pGEX-6P-1 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): gold / References: UniProt: A0A0U7UVX7 #2: Chemical | #3: Chemical | ChemComp-CL / | #4: 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: 1.94 Å3/Da / Density % sol: 36.9 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1 M tris HCl pH 7.5 0.14 M trimethylamine-N-oxide 16% (w/v) polyethylene glycol monomethyl ether 2000 |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 1.282 Å | |||||||||||||||
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Dec 12, 2015 | |||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||
Radiation wavelength | Wavelength: 1.282 Å / Relative weight: 1 | |||||||||||||||
Reflection twin |
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Reflection | Resolution: 1.34→55.5 Å / Num. obs: 49738 / % possible obs: 96.8 % / Redundancy: 5.3 % / Biso Wilson estimate: 7.114 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.082 / Rpim(I) all: 0.056 / Net I/σ(I): 10.5 | |||||||||||||||
Reflection shell | Resolution: 1.34→1.36 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.92 / Mean I/σ(I) obs: 1.3 / Num. unique obs: 2109 / CC1/2: 0.36 / Rpim(I) all: 0.755 / % possible all: 83 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.34→51.6 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.968 / SU B: 1.227 / SU ML: 0.024 / SU R Cruickshank DPI: 0.0137 / Cross valid method: THROUGHOUT / ESU R: 0.014 / ESU R Free: 0.012 / SU Rfree Cruickshank DPI: 0.0116 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.7 Å / Shrinkage radii: 0.7 Å / VDW probe radii: 1.3 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.146 Å2
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Refinement step | Cycle: 1 / Resolution: 1.34→51.6 Å
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Refine LS restraints |
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