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Open data
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Basic information
Entry | Database: PDB / ID: 7te2 | ||||||
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Title | Crystal Structure of AerR from Rhodobacter capsulatus at 2.25 A. | ||||||
![]() | AerR | ||||||
![]() | TRANSCRIPTION / B12 binding / transcription regulator / photosynthesis / gene regulator | ||||||
Function / homology | B12 binding domain / Cobalamin-binding domain superfamily / B12-binding domain profile. / Cobalamin (vitamin B12)-binding domain / cobalamin binding / metal ion binding / COBALAMIN / HEXANE-1,6-DIOL / B12-binding domain-containing protein![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Dragnea, V. / Gonzalez-Gutierrez, G. / Bauer, C.E. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural Analyses of CrtJ and Its B 12 -Binding Co-Regulators SAerR and LAerR from the Purple Photosynthetic Bacterium Rhodobacter capsulatus. Authors: Dragnea, V. / Gonzalez-Gutierrez, G. / Bauer, C.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 121.3 KB | Display | ![]() |
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PDB format | ![]() | 77.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 747.9 KB | Display | ![]() |
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Full document | ![]() | 751.9 KB | Display | |
Data in XML | ![]() | 11.6 KB | Display | |
Data in CIF | ![]() | 15.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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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: 22754.447 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||||
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#2: Chemical | ChemComp-B12 / | ||||||
#3: Chemical | ChemComp-HEZ / | ||||||
#4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | Nonpolymer details | There is split consensus with respect to the geometry in the C19 atom of vitamin B12. Therefore, ...There is split consensus with respect to the geometry in the C19 atom of vitamin B12. Therefore, caution is advised when inspecting this region. Several structures containing B12 in the PDB are modeled using the B12 ligand definition from the CCP4 dictionary, where C19 is planar and has a double bond to N24. However, in high resolution structures (i.e. PDB code 3CI3), C19 atom seems to be tetragonal, which is in agreement with the B12 model in the Cambridge Structural Database (CSD). | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.96 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.8 / Details: HEPES pH 7.8, NaCl 3.2 M, 1,6-Hexanediol 8% |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RDI CMOS_8M / Detector: CMOS / Date: May 2, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.00003 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→47.32 Å / Num. obs: 11257 / % possible obs: 100 % / Redundancy: 19.3 % / Biso Wilson estimate: 22.5 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.104 / Rpim(I) all: 0.024 / Rrim(I) all: 0.107 / Net I/σ(I): 20.6 |
Reflection shell | Resolution: 2.25→2.32 Å / Redundancy: 16.8 % / Rmerge(I) obs: 1.804 / Mean I/σ(I) obs: 1.7 / Num. unique obs: 1005 / CC1/2: 0.687 / Rpim(I) all: 0.451 / Rrim(I) all: 1.861 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() 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: 29.98 Å2 | ||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.25→47.32 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 15.8376146567 Å / Origin y: 21.6194081175 Å / Origin z: 97.836297344 Å
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Refinement TLS group | Selection details: all |