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Yorodumi- PDB-4h4n: 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 fr... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4h4n | ||||||
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Title | 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis | ||||||
Components | hypothetical protein BA_2335 | ||||||
Keywords | UNKNOWN FUNCTION / Structural Genomics / NIAID / National Institute of Allergy and Infectious Diseases / Center for Structural Genomics of Infectious Diseases / CSGID / hypothetical protein | ||||||
Function / homology | Immunoglobulin-like - #3750 / Immunoglobulin-like / Sandwich / Mainly Beta / BETA-MERCAPTOETHANOL / Uncharacterized protein / Uncharacterized protein Function and homology information | ||||||
Biological species | Bacillus anthracis (anthrax bacterium) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.1 Å | ||||||
Authors | Minasov, G. / Wawrzak, Z. / Shuvalova, L. / Dubrovska, I. / Winsor, J. / Grimshaw, S. / Papazisi, L. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
Citation | Journal: TO BE PUBLISHED Title: 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis. Authors: Minasov, G. / Wawrzak, Z. / Shuvalova, L. / Dubrovska, I. / Winsor, J. / Grimshaw, S. / Papazisi, L. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4h4n.cif.gz | 40.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4h4n.ent.gz | 31.4 KB | Display | PDB format |
PDBx/mmJSON format | 4h4n.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4h4n_validation.pdf.gz | 435.3 KB | Display | wwPDB validaton report |
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Full document | 4h4n_full_validation.pdf.gz | 435.3 KB | Display | |
Data in XML | 4h4n_validation.xml.gz | 6.1 KB | Display | |
Data in CIF | 4h4n_validation.cif.gz | 7.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h4/4h4n ftp://data.pdbj.org/pub/pdb/validation_reports/h4/4h4n | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 7625.771 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus anthracis (anthrax bacterium) / Strain: Ames / Gene: BAS2177, BA_2335, GBAA_2335 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: Q81QT2, UniProt: A0A6L7H4C2*PLUS | ||||||
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#2: Chemical | #3: Chemical | ChemComp-BME / | #4: Chemical | ChemComp-SO4 / | #5: 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: 1.83 Å3/Da / Density % sol: 32.81 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: Protein: 3.5mg/mL, 0.5M Sodium chloride, 0.01M Tris-HCl pH 8.3; Screen: Classics II (G4), 0.2M Lithium sulfate, 0.1M HEPES pH 7.5, 25% (w/v) PEG 3350., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 6, 2012 / Details: Beryllium lenses |
Radiation | Monochromator: Diamond / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97872 Å / Relative weight: 1 |
Reflection | Resolution: 1.1→30 Å / Num. all: 23318 / Num. obs: 23318 / % possible obs: 99.1 % / Observed criterion σ(I): -3 / Redundancy: 5.2 % / Biso Wilson estimate: 10 Å2 / Rmerge(I) obs: 0.051 / Net I/σ(I): 26.3 |
Reflection shell | Resolution: 1.1→1.12 Å / Redundancy: 3 % / Rmerge(I) obs: 0.333 / Mean I/σ(I) obs: 2.04 / Num. unique all: 1084 / % possible all: 93 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.1→26.01 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.953 / SU B: 0.634 / SU ML: 0.014 Isotropic thermal model: Thermal Factors Anisotropically Refined Cross valid method: THROUGHOUT / ESU R: 0.033 / ESU R Free: 0.035 / 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: 11.142 Å2
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Refinement step | Cycle: LAST / Resolution: 1.1→26.01 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.1→1.129 Å / Total num. of bins used: 20
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