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Yorodumi- PDB-5gng: Crystal Structure of BioG from Haemophilus influenzae at 1.26 Ang... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5gng | |||||||||
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Title | Crystal Structure of BioG from Haemophilus influenzae at 1.26 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 / Uncharacterized protein HI_1552 Function and homology information | |||||||||
Biological species | Haemophilus influenzae (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.26 Å | |||||||||
Authors | Shi, J. / Guo, Z. | |||||||||
Funding support | Hong Kong, 2items
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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 | 5gng.cif.gz | 197.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5gng.ent.gz | 156.5 KB | Display | PDB format |
PDBx/mmJSON format | 5gng.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5gng_validation.pdf.gz | 429.2 KB | Display | wwPDB validaton report |
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Full document | 5gng_full_validation.pdf.gz | 431.7 KB | Display | |
Data in XML | 5gng_validation.xml.gz | 24.7 KB | Display | |
Data in CIF | 5gng_validation.cif.gz | 38.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gn/5gng ftp://data.pdbj.org/pub/pdb/validation_reports/gn/5gng | 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: 26302.740 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (bacteria) Strain: ATCC 51907 / DSM 11121 / KW20 / Rd / Gene: HI_1552 / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: P44251 #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: 2.01 Å3/Da / Density % sol: 38.93 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.2M magnesium acetate, 0.1M sodium cacodylate, 25% PEG 8000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.979 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 26, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection twin | Operator: -h,k,l / Fraction: 0.46 |
Reflection | Resolution: 1.26→30.392 Å / Num. obs: 105669 / % possible obs: 94.3 % / Redundancy: 3.5 % / CC1/2: 0.996 / Rmerge(I) obs: 0.06 / Net I/σ(I): 13.2 |
Reflection shell | Resolution: 1.26→1.28 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.622 / CC1/2: 0.673 / % possible all: 90.9 |
-Processing
Software |
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Refinement | Resolution: 1.26→30.392 Å / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.88
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 74.1 Å2 / Biso mean: 14.54 Å2 / Biso min: 6.56 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.26→30.392 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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