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- PDB-1o99: CRYSTAL STRUCTURE OF THE S62A MUTANT OF PHOSPHOGLYCERATE MUTASE F... -
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Basic information
Entry | Database: PDB / ID: 1o99 | ||||||
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Title | CRYSTAL STRUCTURE OF THE S62A MUTANT OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE | ||||||
![]() | 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLYCERATE MUTASE | ||||||
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Function / homology | ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Rigden, D.J. / Lamani, E. / Littlejohn, J.E. / Jedrzejas, M.J. | ||||||
![]() | ![]() Title: Insights Into the Catalytic Mechanism of Cofactor-Independent Phosphoglycerate Mutase from X-Ray Crystallography, Simulated Dynamics and Molecular Modeling Authors: Rigden, D.J. / Mello, L.V. / Lamani, E. / Littlejohn, J.E. / Jedrzejas, M.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 112.9 KB | Display | ![]() |
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PDB format | ![]() | 87.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1o98C ![]() 1eqjS 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 on special symmetry positions |
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Components
#1: Protein | Mass: 57007.562 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() | ||||||
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#2: Chemical | ChemComp-MN / | ||||||
#3: Chemical | ChemComp-2PG / ![]() | ||||||
#4: Chemical | ChemComp-SO4 / ![]() #5: Water | ChemComp-HOH / | ![]() Compound details | ENGINEERED | Sequence details | THERE IS A DISCREPANCY BETWEEN THE OBSERVED SEQUENCE FOR THIS ENTRY AND THAT PROVIDED FOR IN THE ...THERE IS A DISCREPANC | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.6 Å3/Da / Density % sol: 65 % | ||||||||||||||||||||||||||||||||||||||||
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Crystal grow![]() | pH: 6.7 Details: AMMONIUM SULFATE, SODIUM CITRATE, ZINC ACETATE, CELSIUM CHLORIDE, PEG200, BETA- MERCAPTOETHANOL, pH 6.70 | ||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: OXFORD INSTRUMENTS (PX210) / Detector: CCD / Date: Oct 15, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.65→50 Å / Num. obs: 16760 / % possible obs: 100 % / Redundancy: 8.7 % / Rmerge(I) obs: 0.121 / Net I/σ(I): 8.4 |
Reflection shell | Resolution: 2.65→2.74 Å / Redundancy: 8 % / Rmerge(I) obs: 0.618 / Mean I/σ(I) obs: 1.7 / % possible all: 100 |
Reflection | *PLUS Lowest resolution: 50 Å / % possible obs: 100 % |
Reflection shell | *PLUS % possible obs: 100 % / Redundancy: 8 % |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1EQJ Resolution: 2.65→50 Å / Rfactor Rfree error: 0.008 / Isotropic thermal model: GROUP / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MLF
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 24.912 Å2 / ksol: 0.331664 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.65→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.65→2.74 Å / Rfactor Rfree error: 0.057 / Total num. of bins used: 10
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Xplor file |
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Refinement | *PLUS Num. reflection Rfree: 494 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rwork: 0.243 |