+Open data
-Basic information
Entry | Database: PDB / ID: 3rw8 | ||||||
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Title | Crystal structure of lysozyme in 40% ethanol | ||||||
Components | Lysozyme C | ||||||
Keywords | HYDROLASE / cytoplasmic vesicles (lysosomes) | ||||||
Function / homology | Function and homology information Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / killing of cells of another organism / defense response to Gram-negative bacterium / defense response to Gram-positive bacterium / defense response to bacterium ...Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / killing of cells of another organism / defense response to Gram-negative bacterium / defense response to Gram-positive bacterium / defense response to bacterium / endoplasmic reticulum / extracellular space / identical protein binding / cytoplasm Similarity search - Function | ||||||
Biological species | Gallus gallus (chicken) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.855 Å | ||||||
Authors | Sharma, P. / Solanki, A.K. / Ashish | ||||||
Citation | Journal: to be published Title: Crystal structure of lysozyme in 40% ethanol Authors: Sharma, P. / Solanki, A.K. / Ashish | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3rw8.cif.gz | 37.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3rw8.ent.gz | 28.4 KB | Display | PDB format |
PDBx/mmJSON format | 3rw8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rw/3rw8 ftp://data.pdbj.org/pub/pdb/validation_reports/rw/3rw8 | HTTPS FTP |
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-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 14331.160 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Gallus gallus (chicken) / References: UniProt: P00698, lysozyme |
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-Non-polymers , 5 types, 101 molecules
#2: Chemical | ChemComp-EOH / #3: Chemical | ChemComp-CL / #4: Chemical | #5: Chemical | ChemComp-ACT / | #6: 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: 1.97 Å3/Da / Density % sol: 37.51 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 3.8 Details: 40mM Sodium acetate, 150mM Sodium chloride, 40% Ethanol, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Mar 31, 2011 / Details: Mirrors |
Radiation | Monochromator: Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.855→50 Å / Num. all: 10292 / Num. obs: 10292 / % possible obs: 96.7 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 4.7 % / Biso Wilson estimate: 29.25 Å2 / Rmerge(I) obs: 0.052 / Net I/σ(I): 29.6 |
Reflection shell | Resolution: 1.85→1.88 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.152 / Mean I/σ(I) obs: 10 / Num. unique all: 332 / % possible all: 66.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.855→34.979 Å / Occupancy max: 1 / Occupancy min: 0.7 / FOM work R set: 0.8418 / SU ML: 0.56 / Isotropic thermal model: Isotropic / σ(F): 1.35 / σ(I): 0 / Phase error: 21.62 / 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 / Bsol: 60.575 Å2 / ksol: 0.4 e/Å3 | ||||||||||||||||||||||||||||
Displacement parameters | Biso max: 52.46 Å2 / Biso mean: 29.25 Å2 / Biso min: 15.93 Å2
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Refinement step | Cycle: LAST / Resolution: 1.855→34.979 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: 3
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