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- PDB-2w11: Structure of the L-2-haloacid dehalogenase from Sulfolobus tokodaii -
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Open data
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Basic information
Entry | Database: PDB / ID: 2w11 | ||||||
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Title | Structure of the L-2-haloacid dehalogenase from Sulfolobus tokodaii | ||||||
![]() | 2-HALOALKANOIC ACID DEHALOGENASE | ||||||
![]() | HYDROLASE / HALOACID DEHALOGENASE / HAD | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Rye, C.A. / Isupov, M.N. / Lebedev, A.A. / Littlechild, J.A. | ||||||
![]() | ![]() Title: Biochemical and Structural Studies of a L-Haloacid Dehalogenase from the Thermophilic Archaeon Sulfolobus Tokodaii. Authors: Rye, C.A. / Isupov, M.N. / Lebedev, A.A. / Littlechild, J.A. #1: Journal: Acta Crystallogr.,Sect.D / Year: 2007 Title: An Order-Disorder Twin Crystal of L-2-Haloacid Dehalogenase from Sulfolobus Tokodaii Authors: Rye, C.A. / Isupov, M.N. / Lebedev, A.A. / Littlechild, J.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 103.5 KB | Display | ![]() |
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PDB format | ![]() | 79.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 448.8 KB | Display | ![]() |
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Full document | ![]() | 453.7 KB | Display | |
Data in XML | ![]() | 20.9 KB | Display | |
Data in CIF | ![]() | 30 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2w43C ![]() 1qq5S 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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.99999, -0.00155, -0.0034), Vector: |
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Components
#1: Protein | Mass: 23982.600 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.96 Å3/Da / Density % sol: 37 % Description: THE CRYSTAL WAS TWINNED BY THE RETICULAR MEROHEDRY. THE DATA WERE DETWINNED USING THE ORIGINAL ALGORITHM AS DESCRIBED IN A SECONDARY REFERENCE |
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Crystal grow | Details: 0.1M HEPES, 20% PEG6000 PH7.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Nov 5, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.729 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→23.21 Å / Num. obs: 27770 / % possible obs: 97.6 % / Observed criterion σ(I): 0 / Redundancy: 3.48 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 16 |
Reflection shell | Resolution: 1.9→1.95 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.16 / Mean I/σ(I) obs: 5.7 / % possible all: 75 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1QQ5 Resolution: 1.9→23.21 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.936 / SU B: 3.31 / SU ML: 0.1 / Cross valid method: THROUGHOUT / ESU R: 0.171 / ESU R Free: 0.154 / Stereochemistry target values: MAXIMUM LIKELIHOOD / 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: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.55 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→23.21 Å
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Refine LS restraints |
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