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- PDB-1t4m: STRUCTURE OF A THERMOSTABLE DOUBLE MUTANT OF BACILLUS SUBTILIS LI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1t4m | ||||||
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Title | STRUCTURE OF A THERMOSTABLE DOUBLE MUTANT OF BACILLUS SUBTILIS LIPASE OBTAINED THROUGH DIRECTED EVOLUTION | ||||||
![]() | LIPASE A | ||||||
![]() | HYDROLASE / ALPHA/BETA HYDROLASE | ||||||
Function / homology | ![]() lipase activity / triacylglycerol lipase / triacylglycerol lipase activity / lipid catabolic process / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Rajakumara, E. / Sankaranarayanan, R. | ||||||
![]() | ![]() Title: Structural basis of selection and thermostability of laboratory evolved Bacillus subtilis lipase Authors: Acharya, P. / Rajakumara, E. / Sankaranarayanan, R. / Rao, N.M. #1: ![]() Title: Crystallization and preliminary x-ray crystallographic investigations on several thermostable forms of a bacillus subtilis lipase Authors: Rajakumara, E. / Acharya, P. / Ahamad, S. / Shanmugam, V.M. / Rao, N.M. / Sankaranarayanan, R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 51.9 KB | Display | ![]() |
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PDB format | ![]() | 36 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 419.3 KB | Display | ![]() |
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Full document | ![]() | 421.2 KB | Display | |
Data in XML | ![]() | 10.6 KB | Display | |
Data in CIF | ![]() | 15 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1t2nC ![]() 1i6wS C: citing same article ( S: Starting model for refinement |
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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: 19475.918 Da / Num. of mol.: 1 / Mutation: A132D, N166Y Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-K / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3 Å3/Da / Density % sol: 58.9 % |
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 9.5 Details: PEG 3350, ethanolamine, n-octyl-beta-D-glucoside, sodium sulfate., pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Apr 3, 2003 / Details: osmic |
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 Å / Num. all: 14102 / Num. obs: 14102 / % possible obs: 94 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.1 % / Biso Wilson estimate: 27.9 Å2 / Rsym value: 0.044 / Net I/σ(I): 19 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 1.9 % / Mean I/σ(I) obs: 2.4 / Num. unique all: 793 / Rsym value: 0.241 / % possible all: 63.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1I6W Resolution: 2→24.19 Å / Rfactor Rfree error: 0.01 / Data cutoff high absF: 1544171.68 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: THE ION PRESENT IN THE COORDINATES WAS NAMED POTASSIUM BASED ON THE B-FACTOR DURING REFINEMENT
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 77.4203 Å2 / ksol: 0.341969 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→24.19 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.07 Å / Rfactor Rfree error: 0.049 / Total num. of bins used: 10
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Xplor file |
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