+Open data
-Basic information
Entry | Database: PDB / ID: 8gac | ||||||
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Title | Crystal structure of a high affinity CTLA-4 binder | ||||||
Components | CTLA-4 binder | ||||||
Keywords | PROTEIN BINDING / De novo protein design / high affinity binder / CTLA-4 | ||||||
Biological species | synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å | ||||||
Authors | Yang, W. / Almo, S.C. / Ghosh, A. | ||||||
Funding support | United States, 1items
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Citation | Journal: To Be Published Title: Crystal structure of a high affinity CTLA-4 binder Authors: Yang, W. / Almo, S.C. / Ghosh, A. / Baker, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8gac.cif.gz | 57 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8gac.ent.gz | 40.5 KB | Display | PDB format |
PDBx/mmJSON format | 8gac.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ga/8gac ftp://data.pdbj.org/pub/pdb/validation_reports/ga/8gac | HTTPS FTP |
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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: Protein | Mass: 12636.498 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Plasmid: pET29 / Production host: Escherichia coli BL21(DE3) (bacteria) |
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#2: Chemical | ChemComp-EDO / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.01 % / Description: Thin plates |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 30 % (w/v) PEG 3350, 0.22 M MgCl2 and 0.0.8 M Bis-Tris pH 5.5 and 0.15 M HEPES |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 31-ID / Wavelength: 0.98 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 22, 2022 / Details: KB MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→19.85 Å / Num. obs: 9931 / % possible obs: 99.6 % / Redundancy: 10.6 % / Biso Wilson estimate: 26.37 Å2 / CC1/2: 0.99 / CC star: 1 / Rmerge(I) obs: 0.08 / Net I/σ(I): 18.4 |
Reflection shell | Resolution: 1.85→1.92 Å / Num. unique obs: 1170 / CC1/2: 0.43 / CC star: 0.78 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.85→19.85 Å / Cross valid method: FREE R-VALUE
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Refinement step | Cycle: LAST / Resolution: 1.85→19.85 Å
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