+Open data
-Basic information
Entry | Database: PDB / ID: 1mex | ||||||
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Title | Antibody Catalysis of a Bimolecular Cycloaddition Reaction | ||||||
Components |
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Keywords | IMMUNE SYSTEM / immunoglobulin fold | ||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / Chem-RAC Function and homology information | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.25 Å | ||||||
Authors | Heine, A. / Wilson, I.A. | ||||||
Citation | Journal: To be Published Title: Antibody Catalysis of a Bimolecular Cycloaddition Reaction Authors: Heine, A. / Wilson, I.A. | ||||||
History |
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Remark 999 | SEQRES Author states the sequence should correspond to other antibody FAB sequences listed in the ...SEQRES Author states the sequence should correspond to other antibody FAB sequences listed in the Kabat and Wu "Sequence of proteins of immunological interest". In addition, author states residues 133 and 134 of chain H were refined as ALA, since there was no conclusive side chain density. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1mex.cif.gz | 197.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1mex.ent.gz | 163.6 KB | Display | PDB format |
PDBx/mmJSON format | 1mex.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/me/1mex ftp://data.pdbj.org/pub/pdb/validation_reports/me/1mex | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Antibody | Mass: 23625.949 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / Secretion: ascitic fluid |
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#2: Antibody | Mass: 22790.404 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / Secretion: ascitic fluid |
#3: Chemical | ChemComp-RAC / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.89 Å3/Da / Density % sol: 35 % |
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Crystal grow | Temperature: 295.5 K / Method: vapor diffusion, sitting drop / pH: 7 Details: MPEG2000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295.5K |
-Data collection
Diffraction | Mean temperature: 84 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.96482 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: May 6, 2001 / Details: single crystal bent |
Radiation | Monochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.96482 Å / Relative weight: 1 |
Reflection | Resolution: 1.25→20 Å / Num. all: 112412 / Num. obs: 112412 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / Redundancy: 3.9 % / Rsym value: 0.043 / Net I/σ(I): 27.4 |
Reflection shell | Resolution: 1.25→1.28 Å / Mean I/σ(I) obs: 1.9 / Num. unique all: 7422 / Rsym value: 0.638 / % possible all: 99.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.25→10 Å / Num. parameters: 34859 / Num. restraintsaints: 41965 / 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 ANISOTROPIC REFINEMENT REDUCED FREE R
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Refine analyze | Num. disordered residues: 12 / Occupancy sum hydrogen: 3128 / Occupancy sum non hydrogen: 3842 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.25→10 Å
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Refine LS restraints |
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