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Open data
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Basic information
Entry | Database: PDB / ID: 1bww | ||||||
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Title | BENCE-JONES IMMUNOGLOBULIN REI VARIABLE PORTION, T39K MUTANT | ||||||
![]() | PROTEIN (IG KAPPA CHAIN V-I REGION REI) | ||||||
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Function / homology | ![]() CD22 mediated BCR regulation / Fc epsilon receptor (FCERI) signaling / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Uson, I. / Pohl, E. / Schneider, T.R. / Dauter, Z. / Schmidt, A. / Fritz, H.J. / Sheldrick, G.M. | ||||||
![]() | ![]() Title: 1.7 A structure of the stabilized REIv mutant T39K. Application of local NCS restraints. Authors: Uson, I. / Pohl, E. / Schneider, T.R. / Dauter, Z. / Schmidt, A. / Fritz, H.J. / Sheldrick, G.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 56.3 KB | Display | ![]() |
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PDB format | ![]() | 40.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1reiS 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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.99977, -0.01789, 0.01212), Vector ![]() |
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Components
#1: Antibody | Mass: 11978.282 Da / Num. of mol.: 2 / Fragment: IMMUNOGLOBULIN KAPPA LIGHT CHAIN / Mutation: T39K 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: 2.26 Å3/Da / Density % sol: 45 % | |||||||||||||||||||||||||
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Crystal grow![]() | pH: 7 Details: 20% PEG 8000, 100 MM HEPES PH7 10 MG/ML PROTEIN IN 50 MM PHOSPHATE PH7, pH 7.0 | |||||||||||||||||||||||||
Crystal | *PLUS Density % sol: 45 % | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 277 K / pH: 7 / Method: vapor diffusion, sitting 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: MARRESEARCH / Detector: IMAGE PLATE / Date: Mar 15, 1995 / Details: BENT CRYSTAL |
Radiation | Monochromator: GE SINGLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.7→45 Å / Num. obs: 22266 / % possible obs: 96.2 % / Redundancy: 1.8 % / Rmerge(I) obs: 0.048 / Net I/σ(I): 11.1 |
Reflection shell | Resolution: 1.7→1.76 Å / Redundancy: 0.95 % / Rmerge(I) obs: 0.318 / Mean I/σ(I) obs: 2.6 / % possible all: 90.1 |
Reflection shell | *PLUS % possible obs: 90.1 % / Redundancy: 1.8 % / Num. unique obs: 2104 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: REI WILDTYPE 1REI Resolution: 1.7→45 Å / Num. parameters: 7201 / Num. restraintsaints: 9275 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: ANISOTROPIC SCALING APPLIED BY THE METHOD OF PARKIN, MOEZZI & HOPE, J.APPL.CRYST.28 (1995)53-56 B23 (A**2) : ESTIMATED OVERALL COORDINATE ERROR. THE STRUCTURE WAS REFINED USING LOCAL NCS RESTRAINTS
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Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-2 | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 4 / Occupancy sum hydrogen: 1640 / Occupancy sum non hydrogen: 1778 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→45 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 45 Å / Num. reflection obs: 16351 / σ(F): 2 / % reflection Rfree: 5 % / Rfactor obs: 0.156 / Rfactor Rwork![]() | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: s_plane_restr / Dev ideal: 0.027 |