+Open data
-Basic information
Entry | Database: PDB / ID: 8i32 | ||||||
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Title | D-alanyl carrier protein mutant-S36A | ||||||
Components | D-alanyl carrier protein | ||||||
Keywords | LIGASE / Carrier protein / Lipoteichoic acid | ||||||
Function / homology | Function and homology information D-alanyl carrier activity / lipoteichoic acid biosynthetic process / cell wall organization / cytoplasm Similarity search - Function | ||||||
Biological species | Staphylococcus aureus subsp. aureus Mu50 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å | ||||||
Authors | Jeon, H. / Lee, I. | ||||||
Funding support | 1items
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Citation | Journal: To Be Published Title: Structure of D-alanyl carrier protein at 2.09 Angstroms resolution. Authors: Jeon, H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8i32.cif.gz | 45.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8i32.ent.gz | 31.6 KB | Display | PDB format |
PDBx/mmJSON format | 8i32.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/i3/8i32 ftp://data.pdbj.org/pub/pdb/validation_reports/i3/8i32 | HTTPS FTP |
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-Related structure data
Related structure data | 4bpfS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 9053.144 Da / Num. of mol.: 2 / Mutation: S36A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus subsp. aureus Mu50 (bacteria) Gene: dltC, SAV0934 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0A018 #2: Chemical | ChemComp-GOL / | #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
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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: 1.98 Å3/Da / Density % sol: 38.02 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop Details: PEG 8000 20.5% PEG 400 20% 100mM MgCl2 100mM pH 7.0 Tris-HCl |
-Data collection
Diffraction | Mean temperature: 298 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 7A (6B, 6C1) / Wavelength: 0.97935 Å |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Dec 30, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97935 Å / Relative weight: 1 |
Reflection | Resolution: 2.09→32.08 Å / Num. obs: 9164 / % possible obs: 99.8 % / Redundancy: 12.1 % / Rrim(I) all: 0.217 / Net I/σ(I): 18 |
Reflection shell | Resolution: 2.09→2.17 Å / Num. unique obs: 885 / CC1/2: 0.868 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4bpf Resolution: 2.1→32.054 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.98 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 81.22 Å2 / Biso mean: 34.7979 Å2 / Biso min: 17.74 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.1→32.054 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION
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