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- PDB-6qlc: The ssDNA-binding RNA polymerase cofactor Drc from Pseudomonas ph... -

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Basic information

Entry
Database: PDB / ID: 6qlc
TitleThe ssDNA-binding RNA polymerase cofactor Drc from Pseudomonas phage LUZ7
ComponentsssDNA binding RNA Polymerase cofactor
KeywordsVIRAL PROTEIN / ssDNA binding
Function / homologyPHOSPHATE ION / Uncharacterized protein
Function and homology information
Biological speciesPseudomonas phage LUZ7 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.2 Å
AuthorsDe Zitter, E. / Boon, M. / De Smet, J. / Lavigne, R. / Van Meervelt, L.
Funding support Belgium, 1items
OrganizationGrant numberCountry
KU LeuvenGOA-project KUL_3E140356 Belgium
CitationJournal: Nucleic Acids Res. / Year: 2020
Title: 'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses.
Authors: Boon, M. / De Zitter, E. / De Smet, J. / Wagemans, J. / Voet, M. / Pennemann, F.L. / Schalck, T. / Kuznedelov, K. / Severinov, K. / Van Meervelt, L. / De Maeyer, M. / Lavigne, R.
History
DepositionJan 31, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 30, 2019Provider: repository / Type: Initial release
Revision 1.1Nov 27, 2019Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2Jan 15, 2020Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
Revision 1.3May 15, 2024Group: Advisory / Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_unobs_or_zero_occ_atoms
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: ssDNA binding RNA Polymerase cofactor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)11,6562
Polymers11,5611
Non-polymers951
Water54030
1
A: ssDNA binding RNA Polymerase cofactor
hetero molecules

A: ssDNA binding RNA Polymerase cofactor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,3124
Polymers23,1222
Non-polymers1902
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation6_544x,-y-1/2,-z-3/41
Buried area4280 Å2
ΔGint-38 kcal/mol
Surface area11900 Å2
MethodPISA
Unit cell
Length a, b, c (Å)88.826, 88.826, 63.179
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number98
Space group name H-MI4122

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Components

#1: Protein ssDNA binding RNA Polymerase cofactor / ssDNA-binding RNA polymerase cofactor Drc


Mass: 11561.232 Da / Num. of mol.: 1 / Fragment: ssDNA binding protein
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas phage LUZ7 (virus) / Plasmid: pGEX-6P-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): pLysS / References: UniProt: C8ZKB3
#2: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO4
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 30 / Source method: isolated from a natural source / Formula: H2O

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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: 3.36 Å3/Da / Density % sol: 63.44 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop
Details: 1.8 M ammonium phosphate monobasic 0.1 M sodium acetate pH 4.6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1.000, 2.07333
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: May 23, 2015
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
IDWavelength (Å)Relative weight
111
22.073331
ReflectionResolution: 2.2→44.42 Å / Num. obs: 6690 / % possible obs: 100 % / Redundancy: 12.9 % / Biso Wilson estimate: 48.48 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.045 / Rpim(I) all: 0.013 / Rrim(I) all: 0.047 / Net I/σ(I): 31.3 / Num. measured all: 86244
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) all% possible all
2.2-2.2713.70.4535710.9680.1260.471100
9.07-44.4210.50.0281190.9990.010.0399

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Phasing

PhasingMethod: SAD

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Processing

Software
NameVersionClassification
XDSOct 2015data reduction
Aimless0.5.25data scaling
SHELX2013/2phasing
PHENIX1.11refinement
PDB_EXTRACT3.24data extraction
RefinementMethod to determine structure: SAD / Resolution: 2.2→44.413 Å / SU ML: 0.31 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 36.1
RfactorNum. reflection% reflection
Rfree0.2859 354 5.3 %
Rwork0.2272 --
obs0.2302 6673 99.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 103.55 Å2 / Biso mean: 58.1697 Å2 / Biso min: 33.76 Å2
Refinement stepCycle: final / Resolution: 2.2→44.413 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms650 0 5 30 685
Biso mean--70.08 64.6 -
Num. residues----81
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.007680
X-RAY DIFFRACTIONf_angle_d0.882917
X-RAY DIFFRACTIONf_chiral_restr0.047103
X-RAY DIFFRACTIONf_plane_restr0.005119
X-RAY DIFFRACTIONf_dihedral_angle_d8.039582
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 3 / % reflection obs: 100 %

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all
2.2001-2.51840.38441240.27220452169
2.5184-3.17280.33091280.305220712199
3.1728-44.4220.25271020.197722032305

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