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- PDB-1ekj: THE X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BETA CARBONIC ANHYDRASE F... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ekj | ||||||
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Title | THE X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BETA CARBONIC ANHYDRASE FROM THE C3 DICOT PISUM SATIVUM | ||||||
![]() | BETA-CARBONIC ANHYDRASE | ||||||
![]() | LYASE / ROSSMAN FOLD DOMAIN / STRAND EXCHANGE | ||||||
Function / homology | ![]() carbon utilization / chloroplast stroma / carbonic anhydrase / carbonate dehydratase activity / zinc ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Kimber, M.S. / Pai, E.F. | ||||||
![]() | ![]() Title: The active site architecture of Pisum sativum beta-carbonic anhydrase is a mirror image of that of alpha-carbonic anhydrases. Authors: Kimber, M.S. / Pai, E.F. #1: ![]() Title: Beta-Carbonic Anhydrase from Pisum Sativum: Crystallisation and Preliminary X-Ray Analysis Authors: Kimber, M.S. / Coleman, J.R. / Pai, E.F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 349.4 KB | Display | ![]() |
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PDB format | ![]() | 285.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 469.9 KB | Display | ![]() |
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Full document | ![]() | 499.8 KB | Display | |
Data in XML | ![]() | 37.7 KB | Display | |
Data in CIF | ![]() | 60.1 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 8 molecules ABCDEFGH
#1: Protein | Mass: 23967.291 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() |
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-Non-polymers , 8 types, 849 molecules ![](data/chem/img/ACT.gif)
![](data/chem/img/AZI.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/CU.gif)
![](data/chem/img/CIT.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/AZI.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/CU.gif)
![](data/chem/img/CIT.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-ACT / #3: Chemical | ChemComp-AZI / #4: Chemical | ChemComp-ZN / #5: Chemical | ChemComp-CL / #6: Chemical | ChemComp-EDO / #7: Chemical | ChemComp-CU / #8: Chemical | ChemComp-CIT / | #9: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.58 Å3/Da / Density % sol: 52.41 % | |||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.2 Details: 16% PEG 4000, 0.05 M DITHIOTHREITOL, 0.4 M AMMONIUM ACETATE, 0.1 M SODIUM CITRATE, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / pH: 5 / Method: vapor diffusion | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jun 1, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.93→40 Å / Num. obs: 138484 / % possible obs: 93.2 % / Observed criterion σ(I): -3 / Redundancy: 5.6 % / Biso Wilson estimate: 14.6 Å2 / Rmerge(I) obs: 0.067 / Net I/σ(I): 13 |
Reflection shell | Highest resolution: 1.93 Å / Rmerge(I) obs: 0.277 / % possible all: 78.5 |
Reflection | *PLUS Num. measured all: 779081 |
Reflection shell | *PLUS % possible obs: 78.5 % |
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Processing
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Refinement | Resolution: 1.93→40 Å / Rfactor Rfree error: 0.007 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: TORSION ANGLE ANNEALING REFINEMENT TO MAXIMIMUM LIKELIHOOD TARGETS, FOLLOWED BY INDIVIDUAL TEMPERATURE FACTOR REFINEMENT
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 60.75 Å2 / ksol: 0.34 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 45.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.93→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.93→2.05 Å / Rfactor Rfree error: 0.025 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.5 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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