+Open data
-Basic information
Entry | Database: PDB / ID: 4hqq | ||||||
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Title | Crystal structure of RV144-elicited antibody CH58 | ||||||
Components |
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Keywords | IMMUNE SYSTEM / Immunoglobulin | ||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta Function and homology information | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | McLellan, J.S. / Haynes, B.F. / Kwong, P.D. | ||||||
Citation | Journal: Immunity / Year: 2013 Title: Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2. Authors: Liao, H.X. / Bonsignori, M. / Alam, S.M. / McLellan, J.S. / Tomaras, G.D. / Moody, M.A. / Kozink, D.M. / Hwang, K.K. / Chen, X. / Tsao, C.Y. / Liu, P. / Lu, X. / Parks, R.J. / Montefiori, D. ...Authors: Liao, H.X. / Bonsignori, M. / Alam, S.M. / McLellan, J.S. / Tomaras, G.D. / Moody, M.A. / Kozink, D.M. / Hwang, K.K. / Chen, X. / Tsao, C.Y. / Liu, P. / Lu, X. / Parks, R.J. / Montefiori, D.C. / Ferrari, G. / Pollara, J. / Rao, M. / Peachman, K.K. / Santra, S. / Letvin, N.L. / Karasavvas, N. / Yang, Z.Y. / Dai, K. / Pancera, M. / Gorman, J. / Wiehe, K. / Nicely, N.I. / Rerks-Ngarm, S. / Nitayaphan, S. / Kaewkungwal, J. / Pitisuttithum, P. / Tartaglia, J. / Sinangil, F. / Kim, J.H. / Michael, N.L. / Kepler, T.B. / Kwong, P.D. / Mascola, J.R. / Nabel, G.J. / Pinter, A. / Zolla-Pazner, S. / Haynes, B.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4hqq.cif.gz | 181.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4hqq.ent.gz | 143.5 KB | Display | PDB format |
PDBx/mmJSON format | 4hqq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hq/4hqq ftp://data.pdbj.org/pub/pdb/validation_reports/hq/4hqq | HTTPS FTP |
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-Related structure data
Related structure data | 4hpoC 4hpyC 3h0tS 3ujjS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Antibody | Mass: 25035.146 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293 / Production host: Homo sapiens (human) |
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#2: Antibody | Mass: 23154.309 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293 / Production host: Homo sapiens (human) |
#3: 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: 3.12 Å3/Da / Density % sol: 60.63 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.2 Details: 38% (w/v) PEG 8000, 0.2 M NaCl, 0.1 M sodium phosphate-citrate pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-BM / Wavelength: 1 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Feb 6, 2012 |
Radiation | Monochromator: Si220 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→50 Å / Num. all: 24300 / Num. obs: 23741 / % possible obs: 97.7 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 |
Reflection shell | Resolution: 2.4→2.44 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.506 / % possible all: 82.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entries 3H0T 3UJJ Resolution: 2.4→25.843 Å / SU ML: 0.28 / σ(F): 1.34 / Phase error: 24.08 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→25.843 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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