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- PDB-7a42: Fluoroacetate Dehalogenase measured by serial synchrotron crystal... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7a42 | ||||||
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Title | Fluoroacetate Dehalogenase measured by serial synchrotron crystallography | ||||||
![]() | Fluoroacetate dehalogenase | ||||||
![]() | HYDROLASE / dehalogenase / serial synchrotron crystallography | ||||||
Function / homology | haloacetate dehalogenase / haloacetate dehalogenase activity / Epoxide hydrolase-like / alpha/beta hydrolase fold / Alpha/beta hydrolase fold-1 / Alpha/Beta hydrolase fold / Fluoroacetate dehalogenase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Mehrabi, P. / Schulz, E.C. / Buecker, R. | ||||||
![]() | ![]() Title: Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison. Authors: Mehrabi, P. / Bucker, R. / Bourenkov, G. / Ginn, H.M. / von Stetten, D. / Muller-Werkmeister, H.M. / Kuo, A. / Morizumi, T. / Eger, B.T. / Ou, W.L. / Oghbaey, S. / Sarracini, A. / Besaw, J.E. ...Authors: Mehrabi, P. / Bucker, R. / Bourenkov, G. / Ginn, H.M. / von Stetten, D. / Muller-Werkmeister, H.M. / Kuo, A. / Morizumi, T. / Eger, B.T. / Ou, W.L. / Oghbaey, S. / Sarracini, A. / Besaw, J.E. / Pare-Labrosse, O. / Meier, S. / Schikora, H. / Tellkamp, F. / Marx, A. / Sherrell, D.A. / Axford, D. / Owen, R.L. / Ernst, O.P. / Pai, E.F. / Schulz, E.C. / Miller, R.J.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 167.3 KB | Display | ![]() |
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PDB format | ![]() | 106.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.2 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 24.7 KB | Display | |
Data in CIF | ![]() | 36.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7a43C ![]() 7a44C ![]() 7a45C ![]() 3r3uS S: Starting model for refinement 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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Unit cell |
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Components
#1: Protein | Mass: 34073.660 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: RPA1163 / Production host: ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.3 % |
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Crystal grow | Temperature: 293 K / Method: batch mode Details: 18-20 % (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5 |
-Data collection
Diffraction | Mean temperature: 293 K / Serial crystal experiment: Y |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 27, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9778 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→57.39 Å / Num. obs: 54827 / % possible obs: 100 % / Redundancy: 139.52 % / Biso Wilson estimate: 18.85 Å2 / CC1/2: 0.9534 / Net I/σ(I): 4.18 |
Reflection shell | Resolution: 1.75→1.813 Å / Num. unique obs: 5456 / CC1/2: 0.5252 |
Serial crystallography sample delivery | Method: fixed target |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3r3u Resolution: 1.75→33.08 Å / SU ML: 0.1824 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 20.6975 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.87 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.75→33.08 Å
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Refine LS restraints |
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LS refinement shell |
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