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Open data
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Basic information
Entry | Database: PDB / ID: 1b20 | ||||||
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Title | DELETION OF A BURIED SALT-BRIDGE IN BARNASE | ||||||
![]() | PROTEIN (BARNASE) | ||||||
![]() | HYDROLASE / MICROBIAL RIBONUCLEASE / ALPHA/BETA PROTEIN | ||||||
Function / homology | ![]() Hydrolases; Acting on ester bonds; Endoribonucleases producing 3'-phosphomonoesters / RNA endonuclease activity / RNA binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Vaughan, C.K. / Harryson, P. / Buckle, A.M. / Oliveberg, M. / Fersht, A.R. | ||||||
![]() | ![]() Title: A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase. Authors: Vaughan, C.K. / Harryson, P. / Buckle, A.M. / Fersht, A.R. #1: ![]() Title: Molecular Structure of a New Family of Ribonucleases Authors: Mauguen, Y. / Hartley, R.W. / Dodson, E.J. / Dodson, G.G. / Bricogne, G. / Chothia, C. / Jack, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 88.5 KB | Display | ![]() |
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PDB format | ![]() | 66.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 439.9 KB | Display | ![]() |
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Full document | ![]() | 443.1 KB | Display | |
Data in XML | ![]() | 20.3 KB | Display | |
Data in CIF | ![]() | 30.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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3 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 12328.604 Da / Num. of mol.: 3 / Mutation: R69S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.4 % Description: THE STRUCTURE WAS SOLVED BY RIGID BODY REFINEMENT USING WILD-TYPE BARNASE AS A STARTING MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.5 Details: DROP: 8-12 MG/ML PROTEIN 6 MM ZNSO4 0.6 M (NH4)2SO4 WELL: 2.58-2.73 M AMMONIUM PHOSPHATE BUFFER, PH 7.5 1-2 MM ZNSO4 0.15-0.30 M (NH4)2SO4 5-10 MM NH4OH | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal grow | *PLUS Temperature: 288 K / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Feb 1, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.488 Å / Relative weight: 1 |
Reflection | Resolution: 1.71→31.47 Å / Num. obs: 31946 / % possible obs: 98.1 % / Redundancy: 3.5 % / Biso Wilson estimate: 15.52 Å2 / Rmerge(I) obs: 0.064 / Net I/σ(I): 13.42 |
Reflection shell | Resolution: 1.71→1.76 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.229 / Mean I/σ(I) obs: 5.52 / % possible all: 86.4 |
Reflection | *PLUS Highest resolution: 1.7 Å / Rmerge(I) obs: 0.064 |
Reflection shell | *PLUS % possible obs: 86.4 % / Rmerge(I) obs: 0.229 / Mean I/σ(I) obs: 5.97 |
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Processing
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Refinement | Method to determine structure: OTHER / Resolution: 1.7→27.1 Å / SU B: 2.43 / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 24.45 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→27.1 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.7 Å / σ(F): 0 / % reflection Rfree: 5 % / Rfactor obs: 0.166 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |