+Open data
-Basic information
Entry | Database: PDB / ID: 1rqw | ||||||
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Title | Thaumatin Structure at 1.05 A Resolution | ||||||
Components | thaumatin I | ||||||
Keywords | PLANT PROTEIN / thaumatin / x-ray structure | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Thaumatococcus daniellii (katemfe) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.05 Å | ||||||
Authors | Ma, Q. / Sheldrick, G.M. | ||||||
Citation | Journal: To be Published Title: Thaumatin Structure at 1.05 A Resolution Authors: Ma, Q. / Sheldrick, G.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1rqw.cif.gz | 109.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1rqw.ent.gz | 84.2 KB | Display | PDB format |
PDBx/mmJSON format | 1rqw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1rqw_validation.pdf.gz | 441.2 KB | Display | wwPDB validaton report |
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Full document | 1rqw_full_validation.pdf.gz | 443.7 KB | Display | |
Data in XML | 1rqw_validation.xml.gz | 14.5 KB | Display | |
Data in CIF | 1rqw_validation.cif.gz | 22.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rq/1rqw ftp://data.pdbj.org/pub/pdb/validation_reports/rq/1rqw | HTTPS FTP |
-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 on special symmetry positions |
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-Components
#1: Protein | Mass: 22243.119 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thaumatococcus daniellii (katemfe) / References: UniProt: P02883 |
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#2: Chemical | ChemComp-TLA / |
#3: Water | ChemComp-HOH / |
Sequence details | THERE ARE TWO ISOFORMS OF THAUMATION, I AND II. LYS46 FROM THE FORM I IS USED BECAUSE THE ...THERE ARE TWO ISOFORMS OF THAUMATION |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.23 Å3/Da / Density % sol: 44.4 % |
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Crystal grow | Temperature: 298 K / pH: 6.8 Details: Drop: 4ul 40mg/ml thaumatin (in DTNB saturated ddH2O) + 2ul well solution [0.05M ADA pH6.8, 0.6M potassium sodium tartrate (whose 2M stock soution is saturated with DTNB), 20% Glycerol, ...Details: Drop: 4ul 40mg/ml thaumatin (in DTNB saturated ddH2O) + 2ul well solution [0.05M ADA pH6.8, 0.6M potassium sodium tartrate (whose 2M stock soution is saturated with DTNB), 20% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.80 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: MACSCIENCE M06X / Wavelength: 1.5418 |
Detector | Type: BRUKER SMART 6000 / Detector: CCD / Date: Feb 10, 2003 / Details: OSMIC BLUE CONFOCAL MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.05→160 Å / Num. obs: 116807 / % possible obs: 97.7 % / Observed criterion σ(I): -3 / Redundancy: 19.1 % / Rsym value: 0.039 / Net I/σ(I): 37.8 |
Reflection shell | Resolution: 1.05→1.15 Å / Redundancy: 9.25 % / Mean I/σ(I) obs: 7.17 / Rsym value: 0.298 / % possible all: 96.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: IN HOUSE MODEL Resolution: 1.05→10 Å / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH & HUBER
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Refine analyze | Num. disordered residues: 17 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.05→10 Å
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Refine LS restraints |
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