+Open data
-Basic information
Entry | Database: PDB / ID: 1i8b | ||||||
---|---|---|---|---|---|---|---|
Title | Chalcone synthase (G256F) | ||||||
Components | CHALCONE SYNTHASE 2 | ||||||
Keywords | TRANSFERASE / chalcone synthase / polyketide synthase | ||||||
Function / homology | Function and homology information chalcone biosynthetic process / : / chalcone synthase / naringenin-chalcone synthase activity / flavonoid biosynthetic process / polyketide biosynthetic process Similarity search - Function | ||||||
Biological species | Medicago sativa (alfalfa) | ||||||
Method | X-RAY DIFFRACTION / FOURIER SYNTHESIS / Resolution: 1.95 Å | ||||||
Authors | Jez, J.M. / Bowman, M.E. / Noel, J.P. | ||||||
Citation | Journal: Biochemistry / Year: 2001 Title: Structure-guided programming of polyketide chain-length determination in chalcone synthase. Authors: Jez, J.M. / Bowman, M.E. / Noel, J.P. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1i8b.cif.gz | 162 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1i8b.ent.gz | 133.7 KB | Display | PDB format |
PDBx/mmJSON format | 1i8b.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1i8b_validation.pdf.gz | 442.1 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1i8b_full_validation.pdf.gz | 457.3 KB | Display | |
Data in XML | 1i8b_validation.xml.gz | 33.8 KB | Display | |
Data in CIF | 1i8b_validation.cif.gz | 48.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/i8/1i8b ftp://data.pdbj.org/pub/pdb/validation_reports/i8/1i8b | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 42877.398 Da / Num. of mol.: 2 / Mutation: G256F Source method: isolated from a genetically manipulated source Source: (gene. exp.) Medicago sativa (alfalfa) / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: P30074, chalcone synthase #2: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 41.53 % | ||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 2.2-2.4 M ammonium sulfate, 0.1 M PIPES, 5 mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 105 K |
---|---|
Diffraction source | Source: ROTATING ANODE / Type: MACSCIENCE / Wavelength: 1.54 Å |
Detector | Type: MACSCIENCE / Detector: IMAGE PLATE / Date: Jul 19, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→23.7 Å / Num. all: 52790 / Num. obs: 376124 / % possible obs: 97.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 7.12 % / Biso Wilson estimate: 24.442 Å2 / Rmerge(I) obs: 0.051 / Net I/σ(I): 14.7 |
Reflection shell | Resolution: 1.95→2 Å / Redundancy: 2.6 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 2.1 / % possible all: 99.2 |
Reflection | *PLUS Num. obs: 51488 / Num. measured all: 376124 |
Reflection shell | *PLUS % possible obs: 99.2 % / Rmerge(I) obs: 0.36 |
-Processing
Software |
| ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 1.95→23.7 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
| ||||||||||||||||||||
Displacement parameters | Biso mean: 28.1 Å2 | ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.95→23.7 Å
| ||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||
LS refinement shell | Resolution: 1.954→2.054 Å
| ||||||||||||||||||||
Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS σ(F): 0 / % reflection Rfree: 5 % / Rfactor obs: 0.195 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
|