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Open data
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Basic information
Entry | Database: PDB / ID: 1tt8 | ||||||
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Title | CHORISMATE LYASE WITH PRODUCT, 1.0 A RESOLUTION | ||||||
![]() | Chorismate-pyruvate lyase | ||||||
![]() | LYASE / NEW FOLD / UBIQUINONE PATHWAY / 123654 ANTIPARALLEL SHEET | ||||||
Function / homology | ![]() chorismate lyase / chorismate lyase activity / pyruvate biosynthetic process / ubiquinone biosynthetic process / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Gallagher, D.T. / Mayhew, M. / Holden, M.J. / Vilker, V. / Howard, A. | ||||||
![]() | ![]() Title: Structural analysis of ligand binding and catalysis in chorismate lyase. Authors: Smith, N. / Roitberg, A.E. / Rivera, E. / Howard, A. / Holden, M.J. / Mayhew, M. / Kaistha, S. / Gallagher, D.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 123.9 KB | Display | ![]() |
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PDB format | ![]() | 95.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 439.2 KB | Display | ![]() |
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Full document | ![]() | 440.1 KB | Display | |
Data in XML | ![]() | 12.9 KB | Display | |
Data in CIF | ![]() | 20.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1jd3C ![]() 1xlrC ![]() 2ahcC ![]() 1fw9S 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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Details | THE ENZYME IS MONOMERIC. THIS ENTRY IS FOR ONE MONOMER. |
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Components
#1: Protein | Mass: 18635.557 Da / Num. of mol.: 1 / Mutation: C14S,C81S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-PHB / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.8 Å3/Da / Density % sol: 30 % |
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Crystal grow | Temperature: 297 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 26% PEG4K, 80 mM Hepes, 5%(V/V) ISOPROPANOL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: May 18, 2000 / Details: DOUBLE MIRROR |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.7469 Å / Relative weight: 1 |
Reflection | Resolution: 0.92→20 Å / Num. all: 89590 / Num. obs: 88226 / % possible obs: 0.92 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.6 % / Rmerge(I) obs: 0.066 / Net I/σ(I): 25.8 |
Reflection shell | Resolution: 0.92→0.94 Å / Redundancy: 1.7 % / Rmerge(I) obs: 0.262 / % possible all: 0.86 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1FW9 Resolution: 1→8 Å / Num. parameters: 15076 / Num. restraintsaints: 17545 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY 0.02
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Refine analyze | Num. disordered residues: 3 / Occupancy sum hydrogen: 1360 / Occupancy sum non hydrogen: 1689 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1→8 Å
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Refine LS restraints |
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LS refinement shell |
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