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- PDB-3p2m: Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3p2m | ||||||
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Title | Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis | ||||||
![]() | POSSIBLE HYDROLASE | ||||||
![]() | HYDROLASE / Alpha/beta hydrolase superfamily | ||||||
Function / homology | Alpha/beta hydrolase family / carboxylic ester hydrolase activity / Alpha/beta hydrolase fold-1 / Alpha/Beta hydrolase fold, catalytic domain / Alpha/Beta hydrolase fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / AB hydrolase-1 domain-containing protein![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zheng, X.D. / Guo, J. / Xu, L. / Li, H. / Zhang, D. / Zhang, K. / Sun, F. / Wen, T. / Liu, S. / Pang, H. | ||||||
![]() | ![]() Title: Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis Authors: Zheng, X.D. / Guo, J. / Xu, L. / Li, H. / Zhang, D. / Zhang, K. / Sun, F. / Wen, T. / Liu, S. / Pang, H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 66 KB | Display | ![]() |
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PDB format | ![]() | 48.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 433.6 KB | Display | ![]() |
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Full document | ![]() | 443.3 KB | Display | |
Data in XML | ![]() | 13.3 KB | Display | |
Data in CIF | ![]() | 17.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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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: 35544.789 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.09 Å3/Da / Density % sol: 41.22 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 0.2M magnesium chloride, 100 mM Tris-HCl, 30% PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jun 26, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.07176 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→50 Å / Num. obs: 7159 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 6.7 % / Biso Wilson estimate: 80.8 Å2 / Rsym value: 0.079 / Net I/σ(I): 26.5 |
Reflection shell | Resolution: 2.8→2.85 Å / Redundancy: 5.3 % / Mean I/σ(I) obs: 3 / Rsym value: 0.397 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 53.1 Å2
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Refinement step | Cycle: LAST / Resolution: 2.8→38.35 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.8→2.88 Å / Total num. of bins used: 20
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