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Open data
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Basic information
Entry | Database: PDB / ID: 1g5f | ||||||
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Title | STRUCTURE OF LINB COMPLEXED WITH 1,2-DICHLOROETHANE | ||||||
![]() | 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE | ||||||
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Function / homology | ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Oakley, A.J. / Prokop, Z. / Bohac, M. / Kmunicek, J. / Jedlicka, T. / Monincova, M. / Kuta-Smatanova, I. / Nagata, Y. / Damborsky, J. / Wilce, M.C.J. | ||||||
![]() | ![]() Title: Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition. Authors: Oakley, A.J. / Prokop, Z. / Bohac, M. / Kmunicek, J. / Jedlicka, T. / Monincova, M. / Kuta-Smatanova, I. / Nagata, Y. / Damborsky, J. / Wilce, M.C. #1: ![]() Title: Crystal structure of the haloalkane dehalogenase from Sphingomonas paucimobilis UT26 Authors: Marek, J. / Vevodova, J. / Smatanova, I.K. / Nagata, Y. / Svensson, L.A. / Newman, J. / Takagi, M. / Damborsky, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 75.1 KB | Display | ![]() |
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PDB format | ![]() | 58.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 300.6 KB | Display | ![]() |
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Full document | ![]() | 302.8 KB | Display | |
Data in XML | ![]() | 16.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1g42C ![]() 1g4hC ![]() 1cv2S C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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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 on special symmetry positions |
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Details | The asymmetric unit contains the productive monomer |
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Components
#1: Protein | Mass: 33171.652 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() References: UniProt: P51698, UniProt: D4Z2G1*PLUS, ![]() | ||||||
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#2: Chemical | #3: Chemical | ChemComp-CL / | ![]() #4: Chemical | ChemComp-DCE / | ![]() #5: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 26 % |
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Crystal grow![]() | Temperature: 278 K / Method: vapor diffusion, hanging drop / pH: 8.9 Details: 0.2 M Calcium Acetate, 18-20% PEG 6000, 0.1 M Tris Buffer pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: AREA DETECTOR / Date: Jun 1, 2000 / Details: Ni Mirrors |
Radiation | Monochromator: Ni Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.8→20 Å / Num. all: 54733 / Num. obs: 54733 / % possible obs: 100 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 2.3 % / Biso Wilson estimate: 12 Å2 / Rmerge(I) obs: 0.072 / Net I/σ(I): 10.85 |
Reflection shell | Resolution: 1.8→1.86 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.359 / Mean I/σ(I) obs: 2.09 / Num. unique all: 5097 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1CV2 Resolution: 1.8→15.54 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 1543157.5 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 81.93 Å2 / ksol: 0.461 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.8 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.8→15.54 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.91 Å / Rfactor Rfree error: 0.021 / Total num. of bins used: 6
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Xplor file |
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