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- PDB-1a50: CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1a50 | ||||||
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Title | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE | ||||||
![]() | (TRYPTOPHAN SYNTHASE ...![]() | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Schneider, T.R. / Gerhardt, E. / Lee, M. / Liang, P.-H. / Anderson, K.S. / Schlichting, I. | ||||||
![]() | ![]() Title: Loop closure and intersubunit communication in tryptophan synthase. Authors: Schneider, T.R. / Gerhardt, E. / Lee, M. / Liang, P.H. / Anderson, K.S. / Schlichting, I. | ||||||
Validation Report | ![]() ![]() ![]() | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmcif format | ![]() ![]() ![]() |
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PDB format | ![]() ![]() |
PDBML Plus | ![]() |
Others | ![]() |
-Related structure data
Related structure data | ![]() 1a5sC ![]() 2wsyC ![]() 1wsy S: Starting model for refinement C: citing same article ( |
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Similar-shape strucutres |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell | γ α β
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Components on special symmetry positions |
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Components
-TRYPTOPHAN SYNTHASE ... , 2 types, 2 molecules AB
#1: Protein | Mass: 28698.797 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: INHIBITOR 5-FLUOROINDOLE PROPANOL PHOSPHATE BOUND TO THE ALPHA SITE Source: (natural) ![]() ![]() ![]() |
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#2: Protein | Mass: 42857.805 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: INHIBITOR 5-FLUOROINDOLE PROPANOL PHOSPHATE BOUND TO THE ALPHA SITE Source: (natural) ![]() ![]() ![]() |
-Non-polymers , 4 types, 241 molecules 






#3: Chemical | ChemComp-FIP / |
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#4: Chemical | ChemComp-NA / ![]() |
#5: Chemical | ChemComp-PLP / ![]() |
#6: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.61 Å3/Da / Density % sol: 48 % | |||||||||||||||||||||||||||||||||||
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Crystal grow![]() | pH: 7.8 / Details: pH 7.8 | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 277 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE AREA DETECTOR / Date: Nov 1, 1995 / Details: SYNCHROTRON |
Radiation | Monochromator: SYNCHROTRON / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.29→26.9 Å / Num. obs: 31823 / % possible obs: 95.6 % / Observed criterion σ(I): -3 / Redundancy: 2.2 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 13.4 |
Reflection shell | Resolution: 2.29→2.34 Å / Rmerge(I) obs: 0.21 / Mean I/σ(I) obs: 6.4 / % possible all: 91.6 |
Reflection | *PLUS Highest resolution: 2.29 Å / Lowest resolution: 26.9 Å / Num. measured all: 66781 |
Reflection shell | *PLUS % possible obs: 91.6 % |
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Processing
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Refinement | Method to determine structure![]() Starting model: 1WSY ![]() 1wsy Resolution: 2.3→10 Å / Data cutoff high absF: 100000 / Data cutoff low absF: 0.1 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 17.5 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati d res low obs: 10 Å / Luzzati sigma a obs: 0.21 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.34 Å / Total num. of bins used: 20
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.3 Å / Num. reflection obs: 31627 / Rfactor obs: 0.164 / Rfactor Rfree![]() ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS |