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- PDB-1nki: CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN A (FOSA) C... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1nki | ||||||
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Title | CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN A (FOSA) CONTAINING BOUND PHOSPHONOFORMATE | ||||||
![]() | probable fosfomycin resistance protein | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Rife, C.L. / Pharris, R.E. / Newcomer, M.E. / Armstrong, R.N. | ||||||
![]() | ![]() Title: Phosphonoformate: a minimal transition state analogue inhibitor of the fosfomycin resistance protein, FosA. Authors: Rigsby, R.E. / Rife, C.L. / Fillgrove, K.L. / Newcomer, M.E. / Armstrong, R.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 140.4 KB | Display | ![]() |
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PDB format | ![]() | 108.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1nnrC ![]() 1lqpS S: Starting model for refinement C: citing same article ( |
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Similar 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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Details | a dimer of chains A and B is the complete biological assembly |
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Components
#1: Protein | Mass: 15143.006 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | ![]() #5: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.94 Å3/Da / Density % sol: 35.94 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7 Details: PENTAERYTHRITOL PROPOXYLATE, MANGANESE CHLORIDE, POTASSIUM PHOSPHATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystal grow | *PLUS Method: unknown / Details: Rife, C.L., (2002) J.Am.Chem.Soc., 124, 11001. |
-Data collection
Diffraction | Mean temperature: 113 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jun 20, 2002 / Details: Bent conical Si-mirror |
Radiation | Monochromator: Bent Ge(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 0.95→30 Å / Num. all: 178057 / Num. obs: 154452 / % possible obs: 91.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 8.4 % / Rmerge(I) obs: 0.058 / Net I/σ(I): 26 |
Reflection shell | Resolution: 0.95→0.98 Å / Rmerge(I) obs: 0.358 / Mean I/σ(I) obs: 2.28 / % possible all: 46.8 |
Reflection shell | *PLUS % possible obs: 46.8 % / Mean I/σ(I) obs: 2.3 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1LQP Resolution: 0.95→30 Å / Num. parameters: 23457 / Num. restraintsaints: 28614 / Cross valid method: FREE R / σ(F): 0 / σ(I): -3 / Stereochemistry target values: ENGH AND HUBER Details: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY 4 PERCENT
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Refine analyze | Num. disordered residues: 6 / Occupancy sum hydrogen: 1992 / Occupancy sum non hydrogen: 2562.95 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.95→30 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 30 Å / Rfactor Rfree![]() ![]() | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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