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- PDB-1ac6: CRYSTAL STRUCTURE OF A VARIABLE DOMAIN MUTANT OF A T-CELL RECEPTO... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ac6 | ||||||
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Title | CRYSTAL STRUCTURE OF A VARIABLE DOMAIN MUTANT OF A T-CELL RECEPTOR ALPHA CHAIN | ||||||
![]() | T-CELL RECEPTOR ALPHA | ||||||
![]() | RECEPTOR / V ALPHA DOMAIN / SITE-DIRECTED MUTAGENESIS / THREE-DIMENSIONAL STRUCTURE / GLYCOPROTEIN | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Li, H.-M. / Mariuzza, R.A. | ||||||
![]() | ![]() Title: Dual conformations of a T cell receptor V alpha homodimer: implications for variability in V alpha V beta domain association. Authors: Li, H. / Lebedeva, M.I. / Ward, E.S. / Mariuzza, R.A. #1: ![]() Title: Crystal Structure of a T-Cell Receptor Beta-Chain Complexed with a Superantigen Authors: Fields, B.A. / Malchiodi, E.L. / Li, H. / Ysern, X. / Stauffacher, C.V. / Schlievert, P.M. / Karjalainen, K. / Mariuzza, R.A. #2: ![]() Title: Crystal Structure of the Beta Chain of a T Cell Antigen Receptor Authors: Bentley, G.A. / Boulot, G. / Karjalainen, K. / Mariuzza, R.A. #3: ![]() Title: Crystal Structure of the V Alpha Domain of a T Cell Antigen Receptor Authors: Fields, B.A. / Ober, B. / Malchiodi, E.L. / Lebedeva, M.I. / Braden, B.C. / Ysern, X. / Kim, J.K. / Shao, X. / Ward, E.S. / Mariuzza, R.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 56.8 KB | Display | ![]() |
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PDB format | ![]() | 41.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 425.2 KB | Display | ![]() |
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Full document | ![]() | 429.9 KB | Display | |
Data in XML | ![]() | 11.8 KB | Display | |
Data in CIF | ![]() | 16 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.86457, -0.497718, 0.069259), Vector: |
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Components
#1: Protein | Mass: 12104.274 Da / Num. of mol.: 2 / Fragment: VARIABLE DOMAIN / Mutation: yes / Source method: isolated from a natural source / Source: (natural) ![]() ![]() #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 42 % | ||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 7.7 Details: PROTEIN WAS CRYSTALLIZED FROM 5.0M SODIUM FORMATE, PH 7.7 IN HANGING DROPS AT ROOM TEMPERATURE., vapor diffusion - hanging drop Temp details: room temp | ||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Nov 1, 1995 / Details: COLLIMATOR |
Radiation | Monochromator: NI FILTER / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.12→26.41 Å / Num. obs: 9957 / % possible obs: 78.2 % / Observed criterion σ(I): -3 / Redundancy: 3 % / Rmerge(I) obs: 0.105 / Rsym value: 0.105 / Net I/σ(I): 6 |
Reflection shell | Resolution: 2.3→2.37 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.406 / Mean I/σ(I) obs: 1.38 / Rsym value: 0.406 / % possible all: 73 |
Reflection | *PLUS Num. measured all: 26767 |
Reflection shell | *PLUS % possible obs: 72.7 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: VALPHA WILDTYPE HOMODIMER STRUCTURE OF 1934.4 TCR Resolution: 2.3→8 Å / Data cutoff high absF: 10000000 / Data cutoff low absF: 0 / Isotropic thermal model: ISOTROPIC / Cross valid method: FREE R / σ(F): 2
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Displacement parameters | Biso mean: 24.1 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.23 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.35 Å / Total num. of bins used: 15
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Num. reflection all: 7850 / Rfactor all: 0.198 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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