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- PDB-6n00: Fluoroacetate dehalogenase, room temperature structure, using las... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6n00 | |||||||||
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Title | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | |||||||||
![]() | Fluoroacetate dehalogenase![]() | |||||||||
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Function / homology | ![]() | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Finke, A.D. / Wierman, J.L. / Pare-Labrosse, O. / Sarrachini, A. / Besaw, J. / Mehrabi, P. / Gruner, S.M. / Miller, R.J.D. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Fixed-target serial oscillation crystallography at room temperature. Authors: Wierman, J.L. / Pare-Labrosse, O. / Sarracini, A. / Besaw, J.E. / Cook, M.J. / Oghbaey, S. / Daoud, H. / Mehrabi, P. / Kriksunov, I. / Kuo, A. / Schuller, D.J. / Smith, S. / Ernst, O.P. / ...Authors: Wierman, J.L. / Pare-Labrosse, O. / Sarracini, A. / Besaw, J.E. / Cook, M.J. / Oghbaey, S. / Daoud, H. / Mehrabi, P. / Kriksunov, I. / Kuo, A. / Schuller, D.J. / Smith, S. / Ernst, O.P. / Szebenyi, D.M.E. / Gruner, S.M. / Miller, R.J.D. / Finke, A.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 | ![]() | 165.3 KB | Display | ![]() |
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PDB format | ![]() | 104.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6muhC ![]() 6muyC ![]() 6muzC ![]() 6mv0C ![]() 6mzzC ![]() 6n02C ![]() 6n03C ![]() 6fsxS 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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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.) ![]() ![]() Strain: ATCC BAA-98 / CGA009 / Gene: RPA1163 / Production host: ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-CA / | #3: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.02 Å3/Da / Density % sol: 39.06 % |
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Crystal grow![]() | Temperature: 295 K / Method: batch mode Details: 16-20% PEG 3350, 100mM Tris-Cl pH 8.5, and 200mM CaCl2. |
-Data collection
Diffraction | Mean temperature: 298 K / Serial crystal experiment: Y |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 1M / Detector: PIXEL / Date: Mar 1, 2018 |
Radiation | Monochromator: W/B4C multilayer / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.9→33.43 Å / Num. obs: 41428 / % possible obs: 98.98 % / Redundancy: 6.3 % / Biso Wilson estimate: 33.4 Å2 / CC1/2: 0.944 / Rpim(I) all: 0.1554 / Rrim(I) all: 0.4028 / Net I/σ(I): 4.97 |
Reflection shell | Resolution: 1.9→1.968 Å / Redundancy: 6 % / Mean I/σ(I) obs: 0.6 / Num. unique obs: 3991 / CC1/2: 0.0265 / Rpim(I) all: 3.103 / Rrim(I) all: 7.99 / % possible all: 96.7 |
Serial crystallography sample delivery | Description: Si microchips / Method: fixed target |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 6FSX Resolution: 1.9→33.43 Å / SU ML: 0.3412 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.9525
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 36.81 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→33.43 Å
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Refine LS restraints |
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LS refinement shell |
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