+Open data
-Basic information
Entry | Database: PDB / ID: 1f4p | ||||||
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Title | Y98W FLAVODOXIN MUTANT 1.5A (D. VULGARIS) | ||||||
Components | FLAVODOXIN | ||||||
Keywords | ELECTRON TRANSPORT / flavoprotein / FMN / 3D-strcture / Anisotropic Refinement / Redox protein | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Desulfovibrio vulgaris (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.3 Å | ||||||
Authors | Reynolds, R.A. / Watt, W. / Watenpaugh, K.D. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2001 Title: Structures and comparison of the Y98H (2.0 A) and Y98W (1.5 A) mutants of flavodoxin (Desulfovibrio vulgaris). Authors: Reynolds, R.A. / Watt, W. / Watenpaugh, K.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1f4p.cif.gz | 81.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1f4p.ent.gz | 61.6 KB | Display | PDB format |
PDBx/mmJSON format | 1f4p.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f4/1f4p ftp://data.pdbj.org/pub/pdb/validation_reports/f4/1f4p | HTTPS FTP |
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-Related 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: 15727.182 Da / Num. of mol.: 1 / Mutation: Y98W Source method: isolated from a genetically manipulated source Source: (gene. exp.) Desulfovibrio vulgaris (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: P00323 |
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#2: Chemical | ChemComp-FMN / |
#3: 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: 2.34 Å3/Da / Density % sol: 47.46 % | ||||||||||||||||||||
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 7.3 Details: Ammonium Sulfate, Tris Buffer, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 292.K | ||||||||||||||||||||
Crystal grow | *PLUS Method: unknown | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 291 K |
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Diffraction source | Source: ROTATING ANODE / Type: SIEMENS / Wavelength: 1.5418 |
Detector | Type: SIEMENS HI-STAR / Detector: AREA DETECTOR / Date: Mar 29, 1991 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.29→50 Å / Num. all: 36676 / Num. obs: 31010 / % possible obs: 84.6 % / Redundancy: 3.49 % / Rmerge(I) obs: 0.066 / Net I/σ(I): 15.2 |
Reflection shell | Resolution: 1.29→1.36 Å / Redundancy: 2.95 % / Rmerge(I) obs: 0.507 / Num. unique all: 6057 / % possible all: 54.3 |
-Processing
Software |
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Refinement | Resolution: 1.3→8 Å / Cross valid method: FREE R-VALUE / σ(F): 4 / σ(I): 2 Stereochemistry target values: Anisotropic refinement, no constraints
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Refinement step | Cycle: LAST / Resolution: 1.3→8 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Rfactor Rwork: 0.166 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: s_planar_d / Dev ideal: 0.045 |