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- PDB-1rxg: DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXO... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1rxg | ||||||
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Title | DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE | ||||||
![]() | DEACETOXYCEPHALOSPORIN C SYNTHASE | ||||||
![]() | OXIDOREDUCTASE / FERROUS OXYGENASE / CEPHALOSPORIN / 2-OXOGLUTARATE / ANTIBIOTICS / MEROHEDRAL TWINNING | ||||||
Function / homology | ![]() deacetoxycephalosporin-C synthase / deacetoxycephalosporin-C synthase activity / L-ascorbic acid binding / antibiotic biosynthetic process / iron ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Valegard, K. / Terwisscha Van Scheltinga, A.C. / Lloyd, M.D. / Hara, T. / Ramaswamy, S. / Perrakis, A. / Thompson, A. / Lee, H.J. / Baldwin, J.E. / Shofield, C.J. ...Valegard, K. / Terwisscha Van Scheltinga, A.C. / Lloyd, M.D. / Hara, T. / Ramaswamy, S. / Perrakis, A. / Thompson, A. / Lee, H.J. / Baldwin, J.E. / Shofield, C.J. / Hajdu, J. / Andersson, I. | ||||||
![]() | ![]() Title: Structure of a cephalosporin synthase. Authors: Valegard, K. / van Scheltinga, A.C. / Lloyd, M.D. / Hara, T. / Ramaswamy, S. / Perrakis, A. / Thompson, A. / Lee, H.J. / Baldwin, J.E. / Schofield, C.J. / Hajdu, J. / Andersson, I. #1: ![]() Title: Substrate Specificity of Recombinant Streptomyces Clavuligerus Deacetoxycephalosporin C Synthase Authors: Morgan, N. / Pereira, I.A.C. / Andersson, I. / Adlington, R.M. / Baldwin, J.E. / Cole, S.E. / Crouch, N.P. / Sutherland, J.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 131.1 KB | Display | ![]() |
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PDB format | ![]() | 101.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 447.6 KB | Display | ![]() |
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Full document | ![]() | 449.8 KB | Display | |
Data in XML | ![]() | 15.1 KB | Display | |
Data in CIF | ![]() | 22.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 34591.641 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FE / |
#3: Chemical | ChemComp-SO4 / |
#4: Chemical | ChemComp-AKG / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 54 % | ||||||||||||||||||||
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Crystal grow | pH: 7 / Details: pH 7.0 | ||||||||||||||||||||
Crystal grow | *PLUS Method: unknown / PH range low: 7.5 / PH range high: 7 | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 90 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jan 1, 1998 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→16 Å / Num. obs: 42718 / % possible obs: 97.6 % / Observed criterion σ(I): 0 / Redundancy: 3.8 % / Rmerge(I) obs: 0.054 / Rsym value: 0.054 / Net I/σ(I): 14.3 |
Reflection shell | Resolution: 1.5→1.53 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.256 / Mean I/σ(I) obs: 5 / Rsym value: 0.256 / % possible all: 99.7 |
Reflection shell | *PLUS % possible obs: 99.7 % |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Solvent model: MOEWS & KRETSINGER | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 2 / Occupancy sum hydrogen: 2072 / Occupancy sum non hydrogen: 2363.3 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→20 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: s_chiral_restr / Dev ideal: 0.059 |