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Yorodumi- PDB-6ztu: Crystal structure of a cyclodipeptide synthase from Bacillus ther... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6ztu | ||||||
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Title | Crystal structure of a cyclodipeptide synthase from Bacillus thermoamylovorans | ||||||
Components | Cyclodipeptide synthase, BtCDPS | ||||||
Keywords | RNA BINDING PROTEIN / CDPS / cyclodipeptide synthase | ||||||
Function / homology | Cyclodipeptide synthase superfamily / Cyclodipeptide synthase / Cyclodipeptide synthase / aminoacyltransferase activity / (2S)-hexane-1,2-diol / Cyclodipeptide synthase Function and homology information | ||||||
Biological species | Bacillus thermoamylovorans (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.69 Å | ||||||
Authors | Harding, C.J. / Czekster, C.M. | ||||||
Funding support | United Kingdom, 1items
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Citation | Journal: Rsc Chem Biol / Year: 2021 Title: Bypassing the requirement for aminoacyl-tRNA by a cyclodipeptide synthase enzyme. Authors: Harding, C.J. / Sutherland, E. / Hanna, J.G. / Houston, D.R. / Czekster, C.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ztu.cif.gz | 66.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ztu.ent.gz | 46.9 KB | Display | PDB format |
PDBx/mmJSON format | 6ztu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/zt/6ztu ftp://data.pdbj.org/pub/pdb/validation_reports/zt/6ztu | HTTPS FTP |
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-Related structure data
Related structure data | 6zu3C 7azuC 3oqiS S: Starting model for refinement C: citing same article (ref.) |
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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: 27261.410 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus thermoamylovorans (bacteria) / Gene: yvmC, BT1A1_1686 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A090KS30 |
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#2: Chemical | ChemComp-0RE / ( |
#3: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.7 Å3/Da / Density % sol: 54.44 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.1 M Na Citrate pH 5.5, 37.5 % PEG 550 MME, 5 % 1,2-hexanediol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å | |||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 29, 2019 | |||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 | |||||||||||||||||||||||||||
Reflection | Resolution: 1.69→60.37 Å / Num. obs: 34140 / % possible obs: 100 % / Redundancy: 25.1 % / CC1/2: 1 / Rmerge(I) obs: 0.096 / Rpim(I) all: 0.019 / Rrim(I) all: 0.098 / Net I/σ(I): 19.4 / Num. measured all: 857699 / Scaling rejects: 757 | |||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / % possible all: 100
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3oqi Resolution: 1.69→56.547 Å / SU ML: 0.21 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 22.27 / Stereochemistry target values: ML
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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 max: 81.84 Å2 / Biso mean: 33.9025 Å2 / Biso min: 18.49 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.69→56.547 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / % reflection obs: 100 %
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