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Open data
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Basic information
Entry | Database: PDB / ID: 7uda | ||||||
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Title | Structure of the EstG | ||||||
![]() | Beta-lactamase domain-containing protein | ||||||
![]() | HYDROLASE / alpha/beta fold | ||||||
Function / homology | Beta-lactamase-related / Beta-lactamase / Beta-lactamase/transpeptidase-like / Beta-lactamase-related domain-containing protein![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chen, Z. / Gabelli, S.B. | ||||||
Funding support | ![]()
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![]() | ![]() Title: EstG is a novel esterase required for cell envelope integrity in Caulobacter. Authors: Daitch, A.K. / Orsburn, B.C. / Chen, Z. / Alvarez, L. / Eberhard, C.D. / Sundararajan, K. / Zeinert, R. / Kreitler, D.F. / Jakoncic, J. / Chien, P. / Cava, F. / Gabelli, S.B. / Goley, E.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 93.2 KB | Display | ![]() |
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PDB format | ![]() | 68.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 442.5 KB | Display | ![]() |
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Full document | ![]() | 448.9 KB | Display | |
Data in XML | ![]() | 16.8 KB | Display | |
Data in CIF | ![]() | 22.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7u1bC ![]() 7u1cC ![]() 1ci8S C: citing same article ( S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 49224.500 Da / Num. of mol.: 1 Fragment: estG, Esterase for Stress Tolerance acting on glucans Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-TRS / | ||||
#3: Chemical | ChemComp-NA / #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.46 Å3/Da / Density % sol: 64.41 % / Mosaicity: 0.13 ° |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion / pH: 8.5 Details: 20% PEG500 MME, 10% PEG20000, 0.1 M Tris/Bicine pH 8.5 and 90 mM mixture of sodium nitrate, sodium phosphate dibasic and ammonium sulfate |
-Data collection
Diffraction | Mean temperature: 277 K / Serial crystal experiment: N | |||||||||||||||||||||||||||
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Diffraction source | Source: ![]() | |||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 27, 2021 | |||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 | |||||||||||||||||||||||||||
Reflection | Resolution: 2.47→29.62 Å / Num. obs: 24085 / % possible obs: 99 % / Redundancy: 6.7 % / CC1/2: 0.996 / Rmerge(I) obs: 0.108 / Rpim(I) all: 0.045 / Rrim(I) all: 0.117 / Net I/σ(I): 10.9 | |||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / Redundancy: 6.5 %
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1ci8 Resolution: 2.47→29.62 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.939 / WRfactor Rfree: 0.2159 / WRfactor Rwork: 0.1752 / FOM work R set: 0.8406 / SU B: 6.945 / SU ML: 0.154 / SU R Cruickshank DPI: 0.2452 / SU Rfree: 0.203 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.245 / ESU R Free: 0.203 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 max: 187.25 Å2 / Biso mean: 52.356 Å2 / Biso min: 23.82 Å2
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Refinement step | Cycle: final / Resolution: 2.47→29.62 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.474→2.538 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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