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- PDB-1ftf: CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ftf | ||||||
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Title | CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 2) | ||||||
![]() | ACYL CARRIER PROTEIN SYNTHASE | ||||||
![]() | TRANSFERASE / Bacterial fatty acid biosynthesis / Acyl carrier synthase / Coenzyme A / structure-based drug design | ||||||
Function / homology | ![]() holo-[acyl-carrier-protein] synthase / holo-[acyl-carrier-protein] synthase activity / fatty acid biosynthetic process / magnesium ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chirgadze, N. / Briggs, S. / McAllister, K. / Fischl, A. / Zhao, G. | ||||||
![]() | ![]() Title: Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis. Authors: Chirgadze, N.Y. / Briggs, S.L. / McAllister, K.A. / Fischl, A.S. / Zhao, 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 | ![]() | 81.4 KB | Display | ![]() |
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PDB format | ![]() | 60.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1fteSC ![]() 1fthC 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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Unit cell |
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Components
#1: Protein | Mass: 13678.506 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P0A2W6, holo-[acyl-carrier-protein] synthase #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.05 Å3/Da / Density % sol: 40.1 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 294 K / pH: 7.1 / Method: vapor diffusion | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jun 15, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→20 Å / Num. all: 20366 / Num. obs: 20366 / % possible obs: 94 % / Observed criterion σ(I): 0 / Redundancy: 6.2 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 26.5 |
Reflection shell | Resolution: 2.05→2.1 Å / % possible obs: 89 % / Rmerge(I) obs: 0.301 / Mean I/σ(I) obs: 5 / % possible all: 89 |
Reflection | *PLUS Num. all: 126451 / % possible obs: 94 % / Num. measured all: 423425 / Rmerge(I) obs: 0.06 |
Reflection shell | *PLUS Mean I/σ(I) obs: 3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1FTE Resolution: 2.05→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0
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Refinement step | Cycle: LAST / Resolution: 2.05→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.05→2.09 Å / Total num. of bins used: 18
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Software | *PLUS Name: CNX / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 0 / % reflection Rfree: 4.5 % / Rfactor obs: 0.208 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.377 / % reflection Rfree: 4.5 % / Rfactor Rwork: 0.317 |