+Open data
-Basic information
Entry | Database: PDB / ID: 6kvw | ||||||
---|---|---|---|---|---|---|---|
Title | The complex structure of EanB/C339A/C370A and hercynine | ||||||
Components | Sulfurtransferase | ||||||
Keywords | TRANSFERASE / complex / mutant / hercynine | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Chlorobium limicola (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.25 Å | ||||||
Authors | Wu, L. / Liu, P.H. / Zhou, J.H. | ||||||
Citation | Journal: To Be Published Title: The complex structure of EanB/C339A/C370A and hercynine Authors: Wu, L. / Liu, P.H. / Zhou, J.H. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 6kvw.cif.gz | 194.2 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb6kvw.ent.gz | 157.5 KB | Display | PDB format |
PDBx/mmJSON format | 6kvw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kv/6kvw ftp://data.pdbj.org/pub/pdb/validation_reports/kv/6kvw | HTTPS FTP |
---|
-Related structure data
Similar structure data |
---|
-Links
-Assembly
Deposited unit |
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||||||
2 |
| ||||||||||||
Unit cell |
|
-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 52202.078 Da / Num. of mol.: 2 / Mutation: C339A,C370A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Chlorobium limicola (bacteria) / Strain: DSM 245 / NBRC 103803 / 6330 / Gene: Clim_1149 / Production host: Escherichia coli K-12 (bacteria) / Strain (production host): K-12 / References: UniProt: B3ECE3 |
---|
-Non-polymers , 7 types, 540 molecules
#2: Chemical | #3: Chemical | ChemComp-CL / #4: Chemical | #5: Chemical | ChemComp-CA / | #6: Chemical | #7: Chemical | ChemComp-ZN / | #8: Water | ChemComp-HOH / | |
---|
-Details
Has ligand of interest | Y |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.82 Å3/Da / Density % sol: 56.31 % |
---|---|
Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop Details: 0.1M bicine/Trizma base pH 8.5, 0.03M of each halide, 10% PEG20k 20% PEG550 MME |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.979 Å |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Apr 13, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→50 Å / Num. obs: 56586 / % possible obs: 100 % / Redundancy: 13.1 % / Rmerge(I) obs: 0.215 / Net I/σ(I): 11.5 |
Reflection shell | Resolution: 2.25→2.29 Å / Num. unique obs: 2756 / CC1/2: 0.894 |
-Processing
Software |
| ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.25→25 Å / Cross valid method: FREE R-VALUE
| ||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.25→25 Å
|