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- PDB-8g48: FphE, Staphylococcus aureus fluorophosphonate-binding serine hydr... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8g48 | ||||||
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Title | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form | ||||||
![]() | Fluorophosphonate-binding serine hydrolase E | ||||||
![]() | HYDROLASE / FphE / Staphylococcus aureus / S. aureus / fluorophosphonate-binding / serine hydrolases / lipase | ||||||
Function / homology | Hydrolases / serine hydrolase activity / alpha/beta hydrolase fold / Alpha/beta hydrolase fold-1 / Alpha/Beta hydrolase fold / Uncharacterized hydrolase SAUSA300_2518![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Fellner, M. | ||||||
Funding support | ![]()
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![]() | ![]() Title: FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form Authors: Fellner, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 125.1 KB | Display | ![]() |
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PDB format | ![]() | 96.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 414.2 KB | Display | ![]() |
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Full document | ![]() | 415.3 KB | Display | |
Data in XML | ![]() | 12.8 KB | Display | |
Data in CIF | ![]() | 17.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 31275.100 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: SAUSA300_2518 / Plasmid: F1010 / Production host: ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.19 Å3/Da / Density % sol: 43.92 % |
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Crystal grow | Temperature: 289.15 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 0.3 ul 1.9 mg/ml FphE (10mM HEPES pH 7.6, 100mM NaCl) were mixed with 0.3 ul of reservoir solution. Sitting drop reservoir contained 25 ul of 200mM Magnesium chloride hexahydrate, 100mM Tris ...Details: 0.3 ul 1.9 mg/ml FphE (10mM HEPES pH 7.6, 100mM NaCl) were mixed with 0.3 ul of reservoir solution. Sitting drop reservoir contained 25 ul of 200mM Magnesium chloride hexahydrate, 100mM Tris pH 8.5, 25% PEG 2000 MME. Crystal appeared within ~30 days at 16C. It was frozen in a solution of ~25% glycerol, 75% reservoir. |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 21, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9537 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→41.94 Å / Num. obs: 20746 / % possible obs: 99.5 % / Redundancy: 6.1 % / CC1/2: 0.997 / Rmerge(I) obs: 0.098 / Rpim(I) all: 0.043 / Rrim(I) all: 0.107 / Χ2: 0.9 / Net I/σ(I): 9.7 / Num. measured all: 126180 |
Reflection shell | Resolution: 1.95→2 Å / % possible obs: 95.2 % / Redundancy: 6 % / Rmerge(I) obs: 0.802 / Num. measured all: 8309 / Num. unique obs: 1384 / CC1/2: 0.717 / Rpim(I) all: 0.352 / Rrim(I) all: 0.878 / Χ2: 0.77 / Net I/σ(I) obs: 2.1 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.95→41.94 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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