+Open data
-Basic information
Entry | Database: PDB / ID: 2fp1 | ||||||
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Title | Secreted Chorismate Mutase from Mycobacterium tuberculosis | ||||||
Components | Chorismate mutase | ||||||
Keywords | ISOMERASE / alpha-helical | ||||||
Function / homology | Function and homology information salicylic acid biosynthetic process / chorismate metabolic process / chorismate mutase / chorismate mutase activity / extracellular region Similarity search - Function | ||||||
Biological species | Mycobacterium tuberculosis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.55 Å | ||||||
Authors | Okvist, M. / Dey, R. / Sasso, S. / Grahn, E. / Kast, P. / Krengel, U. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2006 Title: 1.6A Crystal Structure of the Secreted Chorismate Mutase from Mycobacterium tuberculosis: Novel Fold Topology Revealed Authors: Okvist, M. / Dey, R. / Sasso, S. / Grahn, E. / Kast, P. / Krengel, U. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2fp1.cif.gz | 85 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2fp1.ent.gz | 68 KB | Display | PDB format |
PDBx/mmJSON format | 2fp1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fp/2fp1 ftp://data.pdbj.org/pub/pdb/validation_reports/fp/2fp1 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | Proposed to be the dimer in the asymmetric unit |
-Components
#1: Protein | Mass: 18495.512 Da / Num. of mol.: 2 / Fragment: residues 34-199 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Plasmid: pKTU3-HT / Production host: Escherichia coli (E. coli) / Strain (production host): KA29 References: UniProt: O07746, UniProt: P9WIB9*PLUS, chorismate mutase #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 50.91 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 5-15% PEG 4000, 0.2 M sodium acetate, 0.1 M cacodylate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.9393, 0.9506, 0.9393 | |||||||||
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Dec 3, 2003 | |||||||||
Radiation | Monochromator: double crystal monochromator / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||
Radiation wavelength |
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Reflection | Resolution: 1.55→31.01 Å / Num. obs: 53094 / % possible obs: 99.8 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 4.1 % / Rmerge(I) obs: 0.085 / Net I/σ(I): 10.9 | |||||||||
Reflection shell | Resolution: 1.55→1.63 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 2.5 / Num. unique all: 7734 / % possible all: 99.8 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.55→31.01 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.944 / SU B: 1.391 / SU ML: 0.051 / Cross valid method: THROUGHOUT / σ(F): -3 / ESU R: 0.079 / ESU R Free: 0.083 / 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: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 14.622 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.55→31.01 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.55→1.59 Å / Total num. of bins used: 20
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