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- PDB-1nsw: The Crystal Structure of the K18G Mutant of the thioredoxin from ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1nsw | ||||||
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Title | The Crystal Structure of the K18G Mutant of the thioredoxin from Alicyclobacillus acidocaldarius | ||||||
![]() | THIOREDOXIN | ||||||
![]() | ELECTRON TRANSPORT / Thermostability / thioredoxin | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bartolucci, S. / De Simone, G. / Galdiero, S. / Improta, R. / Menchise, V. / Pedone, C. / Pedone, E. / Saviano, M. | ||||||
![]() | ![]() Title: An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius Authors: Bartolucci, S. / De Simone, G. / Galdiero, S. / Improta, R. / Menchise, V. / Pedone, C. / Pedone, E. / Saviano, M. #1: ![]() Title: Prediction and Experimental Testing of Bacillus acidocaldarius Thioredoxin Stability. Authors: Pedone, E. / Cannio, R. / Saviano, M. / Rossi, M. / Bartolucci, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 95.4 KB | Display | ![]() |
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PDB format | ![]() | 73.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 444.4 KB | Display | ![]() |
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Full document | ![]() | 452.4 KB | Display | |
Data in XML | ![]() | 20.2 KB | Display | |
Data in CIF | ![]() | 28.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1nw2C ![]() 2trxS 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: 11513.163 Da / Num. of mol.: 4 / Mutation: K18G Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() References: UniProt: P80579, thioredoxin-disulfide reductase #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.9 Å3/Da / Density % sol: 34.7 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: Hepes, PEG 8000, Calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 22 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
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: IMAGE PLATE / Date: Sep 20, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9072 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→20 Å / Num. all: 26867 / Num. obs: 26867 / % possible obs: 93.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rsym value: 0.03 / Net I/σ(I): 25.5 |
Reflection shell | Resolution: 1.9→1.97 Å / Mean I/σ(I) obs: 7.09 / Rsym value: 0.115 / % possible all: 95.6 |
Reflection | *PLUS Num. obs: 26803 / Num. measured all: 120205 / Rmerge(I) obs: 0.03 |
Reflection shell | *PLUS % possible obs: 95.6 % / Rmerge(I) obs: 0.115 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2TRX Resolution: 1.9→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.9→20 Å
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Refine LS restraints |
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Refinement | *PLUS % reflection Rfree: 5 % | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS |