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Yorodumi- PDB-5uu8: Tetragonal thermolysin cryocooled to 100 K with 30% xylose as cry... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5uu8 | |||||||||
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Title | Tetragonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant | |||||||||
Components | Thermolysin | |||||||||
Keywords | HYDROLASE / zinc protease / alpha/beta | |||||||||
Function / homology | Function and homology information thermolysin / metalloendopeptidase activity / proteolysis / extracellular region / metal ion binding Similarity search - Function | |||||||||
Biological species | Bacillus thermoproteolyticus (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | |||||||||
Authors | Juers, D.H. | |||||||||
Funding support | United States, 1items
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Citation | Journal: Acta Crystallogr D Struct Biol / Year: 2018 Title: The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Authors: Juers, D.H. / Farley, C.A. / Saxby, C.P. / Cotter, R.A. / Cahn, J.K.B. / Holton-Burke, R.C. / Harrison, K. / Wu, Z. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5uu8.cif.gz | 161.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5uu8.ent.gz | 105.4 KB | Display | PDB format |
PDBx/mmJSON format | 5uu8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5uu8_validation.pdf.gz | 433.7 KB | Display | wwPDB validaton report |
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Full document | 5uu8_full_validation.pdf.gz | 435 KB | Display | |
Data in XML | 5uu8_validation.xml.gz | 15 KB | Display | |
Data in CIF | 5uu8_validation.cif.gz | 21.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uu/5uu8 ftp://data.pdbj.org/pub/pdb/validation_reports/uu/5uu8 | HTTPS FTP |
-Related structure data
Related structure data | 5un3C 5uu7C 5uu9C 5uuaC 5uubC 5uucC 5uudC 5uueC 6avlC 6b6nC 6b6oC 6b6pC 6b6qC 6b6rC 6b6sC 6b6tC 6d5nC 6d5oC 6d5pC 6d5qC 6d5rC 6d5sC 6d5tC 6d5uC 6d6eC 6d6fC 6d6gC 6d6hC 6dzfC C: citing same article (ref.) |
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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: Protein | Mass: 34360.336 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus thermoproteolyticus (bacteria) Gene: npr / Production host: Bacillus thermoproteolyticus (bacteria) / References: UniProt: P00800, thermolysin | ||||||
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#2: Chemical | #3: Chemical | #4: Sugar | ChemComp-XYP / #5: 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: 3.73 Å3/Da / Density % sol: 67.04 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop Details: Protein: 50 mg/mL in 45% DMSO,0.5 M ZnCl2 Well: ~2 M AmSO4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SEALED TUBE / Type: OXFORD DIFFRACTION ENHANCE ULTRA / Wavelength: 1.54 Å |
Detector | Type: OXFORD ONYX CCD / Detector: CCD / Date: Aug 27, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→20.304 Å / Num. obs: 31571 / % possible obs: 99.2 % / Redundancy: 4.2 % / Biso Wilson estimate: 27.36710774 Å2 / CC1/2: 0.985 / Net I/σ(I): 5.8 |
Reflection shell | Highest resolution: 2.4 Å / Redundancy: 4.1 % / Mean I/σ(I) obs: 1.4 / CC1/2: 0.761 / % possible all: 99.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.5→20.3039256734 Å / SU ML: 0.30492327563 / Cross valid method: FREE R-VALUE / σ(F): 1.33384942531 / Phase error: 26.7846500871 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.866135245 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→20.3039256734 Å
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Refine LS restraints |
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LS refinement shell |
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