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Open data
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Basic information
Entry | Database: PDB / ID: 1c7e | ||||||
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Title | D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | ||||||
![]() | FLAVODOXIN | ||||||
![]() | ELECTRON TRANSPORT / ELECTRON TRANSFER / FLAVOPROTEIN / FMN / FLAVODOXIN / MUTANT | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | McCarthy, A. / Walsh, M. / Higgins, T. / D'Arcy, D. | ||||||
![]() | ![]() Title: Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin Authors: McCarthy, A.A. / Walsh, M.A. / Verma, C.S. / O'Connell, D.P. / Reinhold, M. / Yalloway, G.N. / D'Arcy, D. / Higgins, T.M. / Voordouw, G. / Mayhew, S.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 71.6 KB | Display | ![]() |
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PDB format | ![]() | 53.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.406, -0.914, -0.006), Vector: |
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Components
#1: Protein | Mass: 15718.172 Da / Num. of mol.: 2 / Mutation: D95E Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.95 Å3/Da / Density % sol: 58.04 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 8.5 Details: 70-73% A.S., 210MM TRIS-HCL, 200MM SODIUM ACETATE PH=8.5 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18 ℃ / pH: 7 / Method: vapor diffusion | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Nov 1, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→19.764 Å / Num. obs: 15535 / % possible obs: 95.4 % / Redundancy: 2.2 % / Biso Wilson estimate: 42.89 Å2 / Rmerge(I) obs: 0.66 / Net I/σ(I): 8.8 |
Reflection shell | Resolution: 2.25→2.29 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.314 / Mean I/σ(I) obs: 2.4 / % possible all: 92.9 |
Reflection | *PLUS Num. measured all: 35676 |
Reflection shell | *PLUS % possible obs: 92.9 % |
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Processing
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Refinement | Method to determine structure: ![]()
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Displacement parameters | Biso mean: 48.56 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.25→19.76 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 12 Å / σ(F): 0 / % reflection Rfree: 5 % / Rfactor obs: 0.2308 / Rfactor Rfree: 0.294 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |