+Open data
-Basic information
Entry | Database: PDB / ID: 5gmo | ||||||||||||
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Title | X-ray structure of carbonyl reductase SsCR | ||||||||||||
Components | Protein induced by osmotic stress | ||||||||||||
Keywords | OXIDOREDUCTASE / carbonyl reductase | ||||||||||||
Function / homology | Function and homology information cinnamyl-alcohol dehydrogenase / : / cinnamyl-alcohol dehydrogenase activity / nucleotide binding Similarity search - Function | ||||||||||||
Biological species | Scheffersomyces stipitis CBS 6054 (fungus) | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.304 Å | ||||||||||||
Authors | Shang, Y.P. / Yu, H.L. / Xu, J.H. | ||||||||||||
Funding support | China, 3items
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Citation | Journal: Adv.Synth.Catal. / Year: 2017 Title: Efficient Synthesis of (R)-2-Chloro-1-(2,4-dichlorophenyl)ethanol with a Ketoreductase from Scheffersomyces stipitis CBS 6045 Authors: Shang, Y.P. / Chen, Q. / Kong, X.D. / Zhang, Y.J. / Xu, J.H. / Yu, H.L. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5gmo.cif.gz | 84.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5gmo.ent.gz | 61.4 KB | Display | PDB format |
PDBx/mmJSON format | 5gmo.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5gmo_validation.pdf.gz | 426.1 KB | Display | wwPDB validaton report |
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Full document | 5gmo_full_validation.pdf.gz | 429.2 KB | Display | |
Data in XML | 5gmo_validation.xml.gz | 15.9 KB | Display | |
Data in CIF | 5gmo_validation.cif.gz | 23.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gm/5gmo ftp://data.pdbj.org/pub/pdb/validation_reports/gm/5gmo | HTTPS FTP |
-Related structure data
Related structure data | 4pvdS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 37005.867 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Scheffersomyces stipitis CBS 6054 (fungus) Strain: CBS 6054 / Gene: GRP3.1, PICST_32463 Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) Strain (production host): 'BL21-Gold(DE3)pLysS AG' / References: UniProt: A3LWG4, cinnamyl-alcohol dehydrogenase |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 48.82 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 0.2 M Lithium sulfate monohydrate, 0.1 M TRIS hydrochloride, 30%(w/v) Polyethylene glycol 4000 PH range: 7.5-9.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.9791 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 2, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→40 Å / Num. obs: 16249 / % possible obs: 99.8 % / Redundancy: 7 % / Rmerge(I) obs: 0.069 / Net I/σ(I): 26.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4PVD Resolution: 2.304→39.401 Å / SU ML: 0.3 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.06
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.304→39.401 Å
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Refine LS restraints |
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LS refinement shell |
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