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Open data
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Basic information
Entry | Database: PDB / ID: 3.0E+31 | ||||||
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Title | H. influenzae beta-carbonic anhydrase, variant V47A | ||||||
![]() | Carbonic anhydrase 2![]() | ||||||
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Function / homology | ![]() cellular response to carbon dioxide / carbon utilization / ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Rowlett, R.S. / Lee, J. | ||||||
![]() | ![]() Title: Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase . Authors: Rowlett, R.S. / Hoffmann, K.M. / Failing, H. / Mysliwiec, M.M. / Samardzic, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 86 KB | Display | ![]() |
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PDB format | ![]() | 64.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3e2xC ![]() 3e3fC ![]() 3e3gC ![]() 3e3iC ![]() 2a8dS 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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Unit cell |
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Components
#1: Protein | ![]() Mass: 26258.932 Da / Num. of mol.: 2 / Mutation: V47A 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: 3.04 Å3/Da / Density % sol: 59.56 % |
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Crystal grow![]() | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1 M HEPES, 0.7 sodium potassium tartrate, 12 mg/mL protein, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Mar 1, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.95→37.77 Å / Num. obs: 14391 / % possible obs: 99.9 % / Redundancy: 16.8 % / Rmerge(I) obs: 0.082 / Net I/σ(I): 34.2 |
Reflection shell | Resolution: 2.95→3.11 Å / Redundancy: 5.8 % / Rmerge(I) obs: 0.493 / Mean I/σ(I) obs: 5.8 / Num. unique all: 2033 / % possible all: 100 |
-Phasing
Phasing MR | Model details: Phaser MODE: MR_AUTO
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 2A8D Resolution: 2.95→37.72 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.931 / WRfactor Rfree: 0.233 / WRfactor Rwork: 0.185 / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.831 / SU B: 27.379 / SU ML: 0.254 / SU R Cruickshank DPI: 0.712 / SU Rfree: 0.338 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.716 / ESU R Free: 0.342 / 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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 89.75 Å2 / Biso mean: 42.863 Å2 / Biso min: 17.7 Å2
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Refinement step | Cycle: LAST / Resolution: 2.95→37.72 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.95→3.026 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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