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Yorodumi- PDB-5h3b: Crystal Structure of SeMet-BioG from Haemophilus influenzae at 1.... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5h3b | ||||||
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Title | Crystal Structure of SeMet-BioG from Haemophilus influenzae at 1.49 Angstroms resolution | ||||||
Components | Uncharacterized protein HI_1552 | ||||||
Keywords | HYDROLASE / alpha/beta-hydrolase fold / pimeloyl-ACP methyl esterase / biotin biosynthesis | ||||||
Function / homology | Pimeloyl-ACP methyl esterase BioG / Pimeloyl-ACP methyl esterase BioG / ISOPROPYL ALCOHOL / Uncharacterized protein HI_1552 Function and homology information | ||||||
Biological species | Haemophilus influenzae Rd KW20 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.492 Å | ||||||
Authors | Shi, J. / Guo, Z. | ||||||
Citation | Journal: Biochemistry / Year: 2016 Title: An Atypical alpha / beta-Hydrolase Fold Revealed in the Crystal Structure of Pimeloyl-Acyl Carrier Protein Methyl Esterase BioG from Haemophilus influenzae Authors: Shi, J. / Cao, X. / Chen, Y. / Cronan, J.E. / Guo, Z. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5h3b.cif.gz | 198.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5h3b.ent.gz | 156.7 KB | Display | PDB format |
PDBx/mmJSON format | 5h3b.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5h3b_validation.pdf.gz | 442.2 KB | Display | wwPDB validaton report |
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Full document | 5h3b_full_validation.pdf.gz | 443.2 KB | Display | |
Data in XML | 5h3b_validation.xml.gz | 21.9 KB | Display | |
Data in CIF | 5h3b_validation.cif.gz | 33.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h3/5h3b ftp://data.pdbj.org/pub/pdb/validation_reports/h3/5h3b | HTTPS FTP |
-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: 26443.428 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Haemophilus influenzae Rd KW20 (bacteria) Strain: KW20 / Gene: HI_1552 / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: P44251, carboxylesterase #2: Chemical | ChemComp-GOL / | #3: Chemical | ChemComp-IPA / | #4: Water | ChemComp-HOH / | Has protein modification | Y | |
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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: 2.19 Å3/Da / Density % sol: 43.73 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: 10%(v/v) iso-propanol, 0.1M citric acid/sodium citrate pH 5.6, 22% PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.9792 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 25, 2015 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9792 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.49→32.45 Å / Num. obs: 70407 / % possible obs: 99.6 % / Redundancy: 7.4 % / CC1/2: 0.998 / Rmerge(I) obs: 0.082 / Net I/av σ(I): 19.51 / Net I/σ(I): 10.9 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.492→32.45 Å / SU ML: 0.15 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 19.76
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 65.8 Å2 / Biso mean: 25.32 Å2 / Biso min: 8.42 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.492→32.45 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14
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