+Open data
-Basic information
Entry | Database: PDB / ID: 5g3q | ||||||
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Title | Crystal structure of a hypothetical domain in WNK1 | ||||||
Components | WNK1 | ||||||
Keywords | TRANSFERASE / DE NOVO PROTEIN | ||||||
Biological species | HOMO SAPIENS (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.613 Å | ||||||
Authors | Pinkas, D.M. / Bufton, J.C. / Sanvitale, C.E. / Bartual, S.G. / Adamson, R.J. / Krojer, T. / Burgess-Brown, N.A. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. ...Pinkas, D.M. / Bufton, J.C. / Sanvitale, C.E. / Bartual, S.G. / Adamson, R.J. / Krojer, T. / Burgess-Brown, N.A. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Bullock, A. | ||||||
Citation | Journal: To be Published Title: Crystal Structure of a Hypothetical Domain in Wnk1 Authors: Pinkas, D.M. / Bufton, J.C. / Sanvitale, C.E. / Bartual, S.G. / Adamson, R.J. / Burgess-Brown, N.A. / Krojer, T. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Bullock, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5g3q.cif.gz | 72.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5g3q.ent.gz | 60.1 KB | Display | PDB format |
PDBx/mmJSON format | 5g3q.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/g3/5g3q ftp://data.pdbj.org/pub/pdb/validation_reports/g3/5g3q | 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 10281.576 Da / Num. of mol.: 2 / Fragment: HYPOTHETICAL DOMAIN, RESIDUES 1113-1201 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): ROSETTA2 #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.76 Å3/Da / Density % sol: 55.43 % / Description: NONE |
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Crystal grow | Details: 20% PEG3350 -- 10% ETHYLENE GLYCOL -- 0.1M BIS-TRIS-PROPANE PH 6.5 -- 0.2M SODIUM FORMATE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.92819 |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 20, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92819 Å / Relative weight: 1 |
Reflection | Resolution: 1.61→82.3 Å / Num. obs: 30010 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 6.5 % / Biso Wilson estimate: 31.1 Å2 / Rmerge(I) obs: 0.03 / Net I/σ(I): 27 |
Reflection shell | Resolution: 1.61→1.62 Å / Redundancy: 6.4 % / Rmerge(I) obs: 0.69 / Mean I/σ(I) obs: 2.3 / % possible all: 94.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: UNRELEASED SAD-DETERMINED SELENOMETHIOINE MODEL Resolution: 1.613→35.502 Å / SU ML: 0.19 / σ(F): 1.35 / Phase error: 25 / 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: 1.613→35.502 Å
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Refine LS restraints |
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LS refinement shell |
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