+Open data
-Basic information
Entry | Database: PDB / ID: 7ave | ||||||
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Title | Perdeuterated refolded hen egg-white lysozyme at 100 K | ||||||
Components | Lysozyme C | ||||||
Keywords | HYDROLASE / Perdeuterated / refolded / lysozyme | ||||||
Function / homology | Function and homology information Lactose synthesis / Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / defense response to Gram-negative bacterium / killing of cells of another organism / defense response to Gram-positive bacterium ...Lactose synthesis / Antimicrobial peptides / Neutrophil degranulation / beta-N-acetylglucosaminidase activity / cell wall macromolecule catabolic process / lysozyme / lysozyme activity / defense response to Gram-negative bacterium / killing of cells of another organism / 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 / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 0.98 Å | ||||||
Authors | Ramos, J. / Laux, V. / Haertlein, M. / Erba Boeri, E. / Forsyth, V.T. / Larsen, S. / Mossou, E. / Langkilde, A.E. | ||||||
Citation | Journal: Iucrj / Year: 2021 Title: Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme. Authors: Ramos, J. / Laux, V. / Haertlein, M. / Boeri Erba, E. / McAuley, K.E. / Forsyth, V.T. / Mossou, E. / Larsen, S. / Langkilde, A.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7ave.cif.gz | 129.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7ave.ent.gz | 85.9 KB | Display | PDB format |
PDBx/mmJSON format | 7ave.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7ave_validation.pdf.gz | 440.2 KB | Display | wwPDB validaton report |
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Full document | 7ave_full_validation.pdf.gz | 440.9 KB | Display | |
Data in XML | 7ave_validation.xml.gz | 9.2 KB | Display | |
Data in CIF | 7ave_validation.cif.gz | 13.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/av/7ave ftp://data.pdbj.org/pub/pdb/validation_reports/av/7ave | HTTPS FTP |
-Related structure data
Related structure data | 7avfC 7avgC 4yeoS S: Starting model for refinement C: citing same article (ref.) |
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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
#1: Protein | Mass: 14388.211 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gallus gallus (chicken) / Gene: LYZ Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: P00698, lysozyme | ||||||
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#2: Chemical | ChemComp-NO3 / #3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.7 Å3/Da / Density % sol: 27.56 % |
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Crystal grow | Temperature: 291 K / Method: microbatch / pH: 4.5 Details: 0.15 M sodium nitrate, 0.05 M sodium acetate pH 4.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.7293 Å |
Detector | Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Jul 15, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.7293 Å / Relative weight: 1 |
Reflection | Resolution: 0.98→32.01 Å / Num. obs: 52966 / % possible obs: 97.44 % / Redundancy: 5.3 % / Biso Wilson estimate: 7.12 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.0424 / Rpim(I) all: 0.047 / Rrim(I) all: 0.053 / Net I/σ(I): 18.09 |
Reflection shell | Resolution: 0.98→1.015 Å / Redundancy: 4.9 % / Rmerge(I) obs: 0.273 / Mean I/σ(I) obs: 4.21 / Num. unique obs: 5018 / CC1/2: 0.935 / Rpim(I) all: 0.136 / Rrim(I) all: 0.306 / % possible all: 92.67 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4YEO Resolution: 0.98→32.01 Å / SU ML: 0.0498 / Cross valid method: FREE R-VALUE / σ(F): 2.02 / Phase error: 9.3646 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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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 mean: 9.96 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.98→32.01 Å
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Refine LS restraints |
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LS refinement shell |
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