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- PDB-1oft: Crystal structure of SulA from Pseudomonas aeruginosa -

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Basic information

Entry
Database: PDB / ID: 1oft
TitleCrystal structure of SulA from Pseudomonas aeruginosa
ComponentsHYPOTHETICAL PROTEIN PA3008
KeywordsBACTERIAL CELL DIVISION INHIBITOR / FTSZ / SULA PROTEIN
Function / homology
Function and homology information


negative regulation of cell division / division septum assembly / SOS response / DNA repair
Similarity search - Function
Cell division suppressor protein, SulA / : / Cell division inhibitor SulA / P-loop containing nucleotide triphosphate hydrolases / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Cell division inhibitor SulA
Similarity search - Component
Biological speciesPSEUDOMONAS AERUGINOSA (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 2.9 Å
AuthorsCordell, S.C. / Robinson, E.J.H. / Lowe, J.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2003
Title: Crystal Structure of the SOS Cell Division Inhibitor Sula and in Complex with Ftsz
Authors: Cordell, S.C. / Robinson, E.J.H. / Lowe, J.
History
DepositionApr 21, 2003Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 19, 2003Provider: repository / Type: Initial release
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3May 8, 2024Group: Data collection / Database references / Other
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HYPOTHETICAL PROTEIN PA3008
B: HYPOTHETICAL PROTEIN PA3008
C: HYPOTHETICAL PROTEIN PA3008
D: HYPOTHETICAL PROTEIN PA3008


Theoretical massNumber of molelcules
Total (without water)69,9764
Polymers69,9764
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPQS
Unit cell
Length a, b, c (Å)80.400, 92.600, 94.300
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein
HYPOTHETICAL PROTEIN PA3008 / SULA


Mass: 17493.922 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Plasmid: PHIS17 / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: Q9HZJ8

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.51 Å3/Da / Density % sol: 50.96 %
Crystal growpH: 5.6 / Details: pH 5.60
Crystal grow
*PLUS
Temperature: 19 ℃ / pH: 7.5 / Method: vapor diffusion, sitting drop
Components of the solutions
*PLUS
IDConc.Common nameCrystal-IDSol-IDChemical formulaDetails
1200 mM1dropNaCl
220 mMTris1drop
35 mMdithiothreitol1drop
45 mM1dropMgCl2
50.1 mMGTP1drop
61 mM1dropNaN3pH7.5
73 %1,6-hexanediol1reservoir
850 mM1reservoirCsCl
95 mM1reservoirFe(III)Cl3
101 %Jeffamine M-6001reservoirpH5.5
110.1 Msodium citrate1reservoirpH5.0

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.8638
DetectorType: ADSC CCD / Detector: CCD
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.8638 Å / Relative weight: 1
ReflectionResolution: 2.9→50 Å / Num. obs: 15552 / % possible obs: 96.3 % / Redundancy: 3.3 % / Biso Wilson estimate: 96 Å2 / Rmerge(I) obs: 0.075 / Net I/σ(I): 14
Reflection shellResolution: 2.9→3.06 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.391 / Mean I/σ(I) obs: 2.2 / % possible all: 96.3
Reflection
*PLUS
Highest resolution: 2.9 Å / % possible obs: 99.8 % / Redundancy: 3.9 % / Rmerge(I) obs: 0.095
Reflection shell
*PLUS
% possible obs: 99.8 % / Rmerge(I) obs: 0.274 / Mean I/σ(I) obs: 4.4

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Processing

Software
NameVersionClassification
CNS1.1refinement
MOSFLMdata reduction
SCALAdata scaling
SOLVEphasing
RefinementMethod to determine structure: MIR / Resolution: 2.9→50 Å / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Details: DATA SHARPENED BY B= -40A**2
RfactorNum. reflection% reflectionSelection details
Rfree0.2885 785 5 %RANDOM
Rwork0.2466 ---
obs0.2466 15511 96 %-
Displacement parametersBiso mean: 35 Å2
Baniso -1Baniso -2Baniso -3
1-18.429 Å20 Å20 Å2
2--7.598 Å20 Å2
3----26.027 Å2
Refinement stepCycle: LAST / Resolution: 2.9→50 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3664 0 0 0 3664
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONc_bond_d0.009
X-RAY DIFFRACTIONc_bond_d_na
X-RAY DIFFRACTIONc_bond_d_prot
X-RAY DIFFRACTIONc_angle_d
X-RAY DIFFRACTIONc_angle_d_na
X-RAY DIFFRACTIONc_angle_d_prot
X-RAY DIFFRACTIONc_angle_deg1.497
X-RAY DIFFRACTIONc_angle_deg_na
X-RAY DIFFRACTIONc_angle_deg_prot
X-RAY DIFFRACTIONc_dihedral_angle_d
X-RAY DIFFRACTIONc_dihedral_angle_d_na
X-RAY DIFFRACTIONc_dihedral_angle_d_prot
X-RAY DIFFRACTIONc_improper_angle_d
X-RAY DIFFRACTIONc_improper_angle_d_na
X-RAY DIFFRACTIONc_improper_angle_d_prot
X-RAY DIFFRACTIONc_mcbond_it
X-RAY DIFFRACTIONc_mcangle_it
X-RAY DIFFRACTIONc_scbond_it
X-RAY DIFFRACTIONc_scangle_it
Refine LS restraints NCSNCS model details: RESTRAINTS
LS refinement shellResolution: 2.9→2.97 Å / Total num. of bins used: 15
RfactorNum. reflection% reflection
Rfree0.3658 56 5 %
Rwork0.2578 905 -
Refinement
*PLUS
Rfactor Rfree: 0.289 / Rfactor Rwork: 0.247
Solvent computation
*PLUS
Displacement parameters
*PLUS
LS refinement shell
*PLUS
Rfactor Rfree: 0.366 / Rfactor Rwork: 0.258

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