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Open data
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Basic information
Entry | Database: PDB / ID: 6ess | ||||||
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Title | Artificial imine reductase mutant S112A-N118P-K121A-S122M | ||||||
![]() | Streptavidin![]() | ||||||
![]() | biotin-binding protein / ![]() ![]() | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Hestericova, M. / Heinisch, T. / Alonso-Cotchico, L. / Marechal, J.-D. / Vidossich, P. / Ward, T.R. | ||||||
![]() | ![]() Title: Directed Evolution of an Artificial Imine Reductase. Authors: Hestericova, M. / Heinisch, T. / Alonso-Cotchico, L. / Marechal, J.D. / Vidossich, P. / Ward, T.R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 41.1 KB | Display | ![]() |
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PDB format | ![]() | 27 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related 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: 16523.045 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-4IR / { | ||
#3: Chemical | #4: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.93 % |
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Crystal grow![]() | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 4 Details: 2.0 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Feb 8, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.91→46.3 Å / Num. obs: 12759 / % possible obs: 99.6 % / Redundancy: 11.2 % / Rmerge(I) obs: 0.082 / Net I/σ(I): 10.2 |
Reflection shell | Resolution: 1.78→1.81 Å / Rmerge(I) obs: 2.44 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 824 / CC1/2: 0.686 / % possible all: 98 |
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Processing
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Refinement | Resolution: 1.91→46.3 Å / Cor.coef. Fo:Fc: 0.891 / Cor.coef. Fo:Fc free: 0.876 / SU B: 7.825 / SU ML: 0.192 / Cross valid method: THROUGHOUT / ESU R: 0.197 / ESU R Free: 0.19 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.164 Å2
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Refinement step | Cycle: 1 / Resolution: 1.91→46.3 Å
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Refine LS restraints |
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