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Open data
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Basic information
Entry | Database: PDB / ID: 1k52 | ||||||
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Title | Monomeric Protein L B1 Domain with a K54G mutation | ||||||
![]() | Protein L | ||||||
![]() | PROTEIN BINDING / Protein L B1 domain / strained beta-hairpin turn / positive phi angles / domain swapping / amyloid formation | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | O'Neill, J.W. / Kim, D.E. / Johnsen, K. / Baker, D. / Zhang, K.Y.J. | ||||||
![]() | ![]() Title: Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus. Authors: O'Neill, J.W. / Kim, D.E. / Johnsen, K. / Baker, D. / Zhang, K.Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 47.3 KB | Display | ![]() |
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PDB format | ![]() | 32.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 431.3 KB | Display | ![]() |
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Full document | ![]() | 431.3 KB | Display | |
Data in XML | ![]() | 10 KB | Display | |
Data in CIF | ![]() | 13.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1k50C ![]() 1k51C ![]() 1k53C ![]() 1hz5S S: Starting model for refinement C: citing same article ( |
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Similar 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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Unit cell |
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Components
#1: Protein | Mass: 7980.780 Da / Num. of mol.: 2 / Fragment: B1 Domain (Residues 111-173) / Mutation: K54G, Y47W Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-ZN / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.37 Å3/Da / Density % sol: 71.85 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 120mM ZnOAc 50mM Cacadylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 4.5 | ||||||||||||||||||||||||||||||||||||||||||
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: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: May 11, 2000 / Details: mirrors |
Radiation | Monochromator: Yale Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→30 Å / Num. all: 26553 / Num. obs: 26473 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 4.9 % / Biso Wilson estimate: 18.8 Å2 / Rmerge(I) obs: 0.065 / Rsym value: 0.058 / Net I/σ(I): 20.4 |
Reflection shell | Resolution: 1.8→1.84 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.42 / Mean I/σ(I) obs: 3 / Num. unique all: 1654 / Rsym value: 0.393 / % possible all: 96.6 |
Reflection | *PLUS Lowest resolution: 30 Å / Rmerge(I) obs: 0.065 / Num. measured all: 1330332 |
Reflection shell | *PLUS Rmerge(I) obs: 0.42 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: WT B1 domain, pdb entry 1HZ5 Resolution: 1.8→24.54 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 1130895.55 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: maximum likelihood
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 42.135 Å2 / ksol: 0.361692 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.8→24.54 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.91 Å / Rfactor Rfree error: 0.019 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 25 Å / % reflection Rfree: 5.1 % / Rfactor obs: 0.199 / Rfactor Rfree: 0.205 / Rfactor Rwork: 0.199 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.277 / Rfactor Rwork: 0.257 |