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Open data
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Basic information
Entry | Database: PDB / ID: 2g4l | ||||||
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Title | Anomalous substructure of hydroxynitrile lyase | ||||||
![]() | (S)-acetone-cyanohydrin lyase | ||||||
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Function / homology | ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Mueller-Dieckmann, C. / Weiss, M.S. | ||||||
![]() | ![]() Title: On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths. Authors: Mueller-Dieckmann, C. / Panjikar, S. / Schmidt, A. / Mueller, S. / Kuper, J. / Geerlof, A. / Wilmanns, M. / Singh, R.K. / Tucker, P.A. / Weiss, M.S. | ||||||
History |
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Remark 999 | SEQUENCE RESIDUE (A CME 94 ) AND RESIDUE (A GLU 95 ) ARE NOT LINKED. DISTANCE OF C-N BOND IS 1.78. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 65.4 KB | Display | ![]() |
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PDB format | ![]() | 52.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2g4hC ![]() 2g4iC ![]() 2g4jC ![]() 2g4kC ![]() 2g4mC ![]() 2g4nC ![]() 2g4oC ![]() 2g4pC ![]() 2g4qC ![]() 2g4rC ![]() 2g4sC ![]() 2g4tC ![]() 2g4uC ![]() 2g4vC ![]() 2g4wC ![]() 2g4xC ![]() 2g4yC ![]() 2g4zC ![]() 2g51C ![]() 2g52C ![]() 2g55C ![]() 2illC C: citing same article ( |
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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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Components
#1: Protein | ( Mass: 29338.719 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() | ||||
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#2: Chemical | ChemComp-SO4 / ![]() #3: Chemical | ChemComp-CL / | ![]() #4: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.73 Å3/Da / Density % sol: 54.88 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jan 1, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.84→30 Å / Num. obs: 28295 / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
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Processing
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Refinement | Method to determine structure![]() ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUE (A CME 94 ) AND RESIDUE (A GLU 95 ) ARE NOT LINKED. DISTANCE OF C-N BOND IS 1.78.
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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: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.84 Å2
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Refinement step | Cycle: LAST / Resolution: 1.84→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.84→1.888 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Origin x: 13.6001 Å / Origin y: 43.7535 Å / Origin z: 14.8506 Å
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