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Open data
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Basic information
Entry | Database: PDB / ID: 1b6q | ||||||
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Title | ALANINE 31 PROLINE MUTANT OF ROP PROTEIN | ||||||
![]() | ROP | ||||||
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Function / homology | Helix Hairpins - #230 / Regulatory protein Rop / Rop-like superfamily / ![]() ![]() | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Glykos, N. / Cesareni, G. / Kokkinidis, M. | ||||||
![]() | ![]() Title: Protein plasticity to the extreme: changing the topology of a 4-alpha-helical bundle with a single amino acid substitution. Authors: Glykos, N.M. / Cesareni, G. / Kokkinidis, M. #1: ![]() Title: Meaningful Refinement of Poly-Alanine Models Using Rigid-Body Simulated Annealing : Application to the Structure Determination of the A31P Rop Mutant | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 24.8 KB | Display | ![]() |
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PDB format | ![]() | 15.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1ropS S: Starting model for refinement |
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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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 7263.076 Da / Num. of mol.: 1 / Mutation: A31P Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.8 Å3/Da / Density % sol: 35 % | |||||||||||||||||||||||||
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Crystal grow![]() | pH: 4.3 / Details: pH 4.3 | |||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop / PH range low: 5.4 / PH range high: 5 | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: SEALED TUBE / Type: OTHER / Wavelength: 1.5418 |
Detector | Type: ENRAF-NONIUS FAST / Detector: DIFFRACTOMETER / Details: MONOCHROMATOR |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.8→40.825 Å / Num. obs: 5103 / % possible obs: 99.9 % / Redundancy: 1 % / Biso Wilson estimate: 28.9 Å2 / Net I/σ(I): 12.4 |
Reflection shell | Resolution: 1.8→1.86 Å / Redundancy: 1 % / Mean I/σ(I) obs: 2.48 / % possible all: 99.6 |
Reflection shell | *PLUS % possible obs: 99.6 % |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: POLY-ALANINE MODEL FROM PDB ENTRY 1ROP Resolution: 1.8→40.825 Å / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: RESOLUTION-DEPENDENT TWO-LINE WEIGHTING SCHEME AS SUGGESTED BY DAVID SMITH, PROCEEDINGS OF THE CCP4 STUDY WEEKEND, 1996.
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Displacement parameters | Biso mean: 26 Å2
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Refine analyze | Luzzati coordinate error obs: 0.23 Å / Luzzati d res low obs: 40.8 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→40.825 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.88 Å / Total num. of bins used: 8
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.188 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |