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- PDB-3ors: Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Muta... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3ors | ||||||
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Title | Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Mutase from Staphylococcus aureus | ||||||
![]() | N5-Carboxyaminoimidazole Ribonucleotide Mutase | ||||||
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Function / homology | ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Brugarolas, P. / Duguid, E.M. / Zhang, W. / Poor, C.B. / He, C. | ||||||
![]() | ![]() Title: Structural and biochemical characterization of N5-carboxyaminoimidazole ribonucleotide synthetase and N5-carboxyaminoimidazole ribonucleotide mutase from Staphylococcus aureus. Authors: Brugarolas, P. / Duguid, E.M. / Zhang, W. / Poor, C.B. / He, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 263.8 KB | Display | ![]() |
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PDB format | ![]() | 214.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3orqC ![]() 3orrC ![]() 1xmpS C: citing same article ( 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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Unit cell |
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Components
#1: Protein | Mass: 17356.186 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Strain: Newman / Gene: NWMN_0933, purE / Plasmid: pMCSG19 / Production host: ![]() ![]() ![]() References: UniProt: A6QFS3, UniProt: A0A0H3K7Y1*PLUS, ![]() #2: Chemical | ChemComp-SO4 / ![]() #3: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.95 Å3/Da / Density % sol: 36.83 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 0.1 M sodium acetate trihydrate pH 4.5, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 77 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Oct 13, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.45→50 Å / Num. all: 187255 / Num. obs: 187255 / % possible obs: 99.5 % / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 1.45→1.54 Å / Redundancy: 3.3 % / Mean I/σ(I) obs: 2.7 / Num. unique all: 20172 / Rsym value: 0.389 / % possible all: 96.9 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1XMP Resolution: 1.45→50 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.139 / SU ML: 0.045 / Cross valid method: THROUGHOUT / ESU R Free: 0.074 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 14.349 Å2
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Refinement step | Cycle: LAST / Resolution: 1.45→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.45→1.488 Å / Total num. of bins used: 20
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