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Open data
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Basic information
Entry | Database: PDB / ID: 2iel | ||||||
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Title | CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus | ||||||
![]() | Hypothetical Protein TT0030 | ||||||
![]() | STRUCTURAL GENOMICS / UNKNOWN FUNCTION / TT0030 / Thermus Thermophilus / PSI / PROTEIN STRUCTURE INITIATIVE / SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS / SECSG | ||||||
Function / homology | HUPs / Rossmann-like alpha/beta/alpha sandwich fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / Uncharacterized protein![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zhu, J. / Huang, J. / Stepanyuk, G. / Chen, L. / Chang, J. / Zhao, M. / Xu, H. / Liu, Z.J. / Rose, J.P. / Wang, B.C. / Southeast Collaboratory for Structural Genomics (SECSG) | ||||||
![]() | ![]() Title: CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus AT 1.6 ANGSTROMS RESOLUTION Authors: Zhu, J. / Huang, J. / Stepanyuk, G. / Chen, L. / Chang, J. / Zhao, M. / Xu, H. / Liu, Z.J. / Rose, J.P. / Wang, B.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 64.3 KB | Display | ![]() |
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PDB format | ![]() | 48.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 431.3 KB | Display | ![]() |
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Full document | ![]() | 432.8 KB | Display | |
Data in XML | ![]() | 12.8 KB | Display | |
Data in CIF | ![]() | 17.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: ARG / Beg label comp-ID: ARG / End auth comp-ID: ALA / End label comp-ID: ALA / Refine code: 5 / Auth seq-ID: 3 - 135 / Label seq-ID: 3 - 135
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Details | PISA SAYS THAT IS IS A A4B4 OCTOMER REPRESENTED BY A TWO LAYER TETRAMER |
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Components
#1: Protein | Mass: 15069.342 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.15 Å3/Da / Density % sol: 42.94 % |
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Crystal grow | Temperature: 291 K / Method: microbatch under oil / pH: 6.9 Details: MODIFIED MICROBATCH USING 1.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (28.3 mg/ml) AND SOLUTION CONTAING 10% GLYCEROL, 1.26M TR-ISODIUM CITRATE DIHYDRATE, 0.09M ...Details: MODIFIED MICROBATCH USING 1.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (28.3 mg/ml) AND SOLUTION CONTAING 10% GLYCEROL, 1.26M TR-ISODIUM CITRATE DIHYDRATE, 0.09M HEPES pH 7.5, Temperature 291K., pH 6.9, MICROBATCH UNDER OIL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 17, 2006 / Details: ROSENBAUM |
Radiation | Monochromator: SI CHANNEL 220 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→50 Å / Num. obs: 30385 / % possible obs: 71.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 12.2 % / Rsym value: 0.045 / Net I/σ(I): 57.1 |
Reflection shell | Resolution: 1.6→1.69 Å / Redundancy: 2.6 % / Mean I/σ(I) obs: 2.77 / Num. unique all: 1291 / Rsym value: 0.28 / % possible all: 30.6 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.844 Å2
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Refinement step | Cycle: LAST / Resolution: 1.6→18.59 Å
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Refine LS restraints |
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Refine LS restraints NCS | Dom-ID: 1 / Auth asym-ID: A / Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 1.6→1.641 Å / Total num. of bins used: 20
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