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Open data
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Basic information
Entry | Database: PDB / ID: 1bsp | ||||||
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Title | THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS | ||||||
![]() | THYMIDYLATE SYNTHASE A | ||||||
![]() | METHYLTRANSFERASE / DTMP SYNTHASE | ||||||
Function / homology | ![]() thymidylate synthase / thymidylate synthase activity / dTMP biosynthetic process / dTTP biosynthetic process / methylation / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Stout, T.J. / Schellenberger, U. / Santi, D.V. / Stroud, R.M. | ||||||
![]() | ![]() Title: Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis. Authors: Stout, T.J. / Schellenberger, U. / Santi, D.V. / Stroud, R.M. #1: ![]() Title: Expression, Purification, and Characterization of Thymidylate Synthase from Lactococcus Lactis Authors: Greene, P.J. / Yu, P.L. / Zhao, J. / Schiffer, C.A. / Santi, D. #2: ![]() Title: Two Thymidylate Synthetases in Bacillus Subtilis Authors: Neuhard, J. / Price, A.R. / Schack, L. / Thomassen, E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 128.6 KB | Display | ![]() |
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PDB format | ![]() | 100.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 384.8 KB | Display | ![]() |
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Full document | ![]() | 393.6 KB | Display | |
Data in XML | ![]() | 13 KB | Display | |
Data in CIF | ![]() | 20.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1bkoC ![]() 1bkpC ![]() 1bsfC ![]() 1tjsS 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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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.93518, 0.08576, 0.34363), Vector: |
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Components
#1: Protein | Mass: 32716.980 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P42326, UniProt: P0CI79*PLUS, thymidylate synthase #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.52 Å3/Da / Density % sol: 50.8 % | |||||||||||||||||||||||||
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Crystal grow | pH: 6.5 / Details: pH 6.5 | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 22 ℃ / pH: 7.4 / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 287 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS / Detector: IMAGE PLATE / Date: May 1, 1996 / Details: COLLIMATOR |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→50 Å / Num. obs: 31172 / % possible obs: 90.8 % / Observed criterion σ(I): 0 / Redundancy: 4.2 % / Biso Wilson estimate: 18.2 Å2 / Rmerge(I) obs: 0.095 / Rsym value: 0.095 / Net I/σ(I): 11.4 |
Reflection shell | Resolution: 2.2→2.26 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.312 / Mean I/σ(I) obs: 3.1 / Rsym value: 0.312 / % possible all: 88.8 |
Reflection | *PLUS Num. measured all: 131066 |
Reflection shell | *PLUS % possible obs: 88.8 % |
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Processing
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Refinement | Method to determine structure: MIR/molecular replacement Starting model: HOMOLOGY MODEL BASED ON 1TJS Resolution: 2.5→50 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2 / Details: BULK SOLVENT MODEL USED
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Displacement parameters | Biso mean: 26.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.5→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.5→2.66 Å / Rfactor Rfree error: 0.019 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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