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- PDB-3cro: THE PHAGE 434 CRO/OR1 COMPLEX AT 2.5 ANGSTROMS RESOLUTION -

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Basic information

Entry
Database: PDB / ID: 3cro
TitleTHE PHAGE 434 CRO/OR1 COMPLEX AT 2.5 ANGSTROMS RESOLUTION
Components
  • DNA (5'-D(*AP*AP*GP*TP*AP*CP*AP*AP*AP*CP*TP*TP*TP*CP*TP*TP*G P*TP*AP*T)-3')
  • DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*GP*AP*AP*AP*GP*TP*TP*TP*GP*T P*AP*CP*T)-3')
  • PROTEIN (434 CRO)
KeywordsTRANSCRIPTION/DNA / PROTEIN-DNA COMPLEX / DOUBLE HELIX / TRANSCRIPTION-DNA COMPLEX
Function / homology
Function and homology information


regulation of DNA-templated transcription / DNA binding
Similarity search - Function
Regulatory protein cro / Helix-turn-helix / Helix-turn-helix XRE-family like proteins / Cro/C1-type HTH domain profile. / lambda repressor-like DNA-binding domains / Cro/C1-type helix-turn-helix domain / 434 Repressor (Amino-terminal Domain) / Lambda repressor-like, DNA-binding domain superfamily / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
DNA / DNA (> 10) / Regulatory protein cro
Similarity search - Component
Biological speciesPhage 434 (virus)
MethodX-RAY DIFFRACTION / Resolution: 2.5 Å
AuthorsMondragon, A. / Harrison, S.C.
Citation
Journal: J.Mol.Biol. / Year: 1991
Title: The phage 434 Cro/OR1 complex at 2.5 A resolution.
Authors: Mondragon, A. / Harrison, S.C.
#1: Journal: J.Mol.Biol. / Year: 1989
Title: Structure of Phage 434 Cro Protein at 2.35 Angstroms Resolution
Authors: Mondragon, A. / Wolberger, C. / Harrison, S.C.
#2: Journal: Science / Year: 1988
Title: Recognition of a DNA Operator by the Repressor of Phage 434. A View at High Resolution
Authors: Aggarwal, A.K. / Rodgers, D.W. / Drottar, M. / Ptashne, M. / Harrison, S.C.
#3: Journal: Nature / Year: 1987
Title: Structure of the Repressor-Operator Complex of Bacteriophage 434
Authors: Anderson, J.E. / Ptashne, M. / Harrison, S.C.
History
DepositionJul 6, 1990Deposition site: BNL / Processing site: BNL
Revision 1.0Oct 15, 1991Provider: repository / Type: Initial release
Revision 1.1May 22, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 21, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA (5'-D(*AP*AP*GP*TP*AP*CP*AP*AP*AP*CP*TP*TP*TP*CP*TP*TP*G P*TP*AP*T)-3')
B: DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*GP*AP*AP*AP*GP*TP*TP*TP*GP*T P*AP*CP*T)-3')
L: PROTEIN (434 CRO)
R: PROTEIN (434 CRO)


Theoretical massNumber of molelcules
Total (without water)28,4164
Polymers28,4164
Non-polymers00
Water45025
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)49.200, 47.600, 61.700
Angle α, β, γ (deg.)90.00, 109.50, 90.00
Int Tables number4
Space group name H-MP1211
DetailsTHE TWO PROTEIN DOMAINS HAVE BEEN ASSIGNED CHAIN INDICATORS *L* AND *R*. THE TWO DNA CHAINS HAVE BEEN ASSIGNED CHAIN INDICATORS *A* AND *B*. THE UNIT CELL CONTAINS TWO COMPLEXES EACH OF WHICH CONSISTS OF A PROTEIN DIMER AND TWO DIFFERENT STRANDS OF DNA.

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Components

#1: DNA chain DNA (5'-D(*AP*AP*GP*TP*AP*CP*AP*AP*AP*CP*TP*TP*TP*CP*TP*TP*G P*TP*AP*T)-3')


Mass: 6106.990 Da / Num. of mol.: 1 / Source method: obtained synthetically
#2: DNA chain DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*GP*AP*AP*AP*GP*TP*TP*TP*GP*T P*AP*CP*T)-3')


Mass: 6156.027 Da / Num. of mol.: 1 / Source method: obtained synthetically
#3: Protein PROTEIN (434 CRO)


Mass: 8076.619 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Phage 434 (virus) / Genus: Lambda-like viruses / Species: Enterobacteria phage lambda / References: UniProt: P03036
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 25 / Source method: isolated from a natural source / Formula: H2O
Sequence detailsTHE DNA CHAINS ARE ALIGNED AS FOLLOWS *B* 5(PRIME) T-A-T-A-C-A-A-G-A-A-A-G-T-T-T-G-T-A-C-T *A* ...THE DNA CHAINS ARE ALIGNED AS FOLLOWS *B* 5(PRIME) T-A-T-A-C-A-A-G-A-A-A-G-T-T-T-G-T-A-C-T *A* 3(PRIME) T-A-T-G-T-T-C-T-T-T-C-A-A-A-C-A-T-G-A-A THE DNA CHAINS ARE NUMBERED SEQUENTIALLY. THE FOLLOWING TABLE PRESENTS THE RELATIONSHIP BETWEEN THE SEQUENTIAL DNA NUMBERING AND THAT USED IN THE PAPER CITED ON THE *JRNL* RECORDS ABOVE: PDB ENTRY PUBLISHED --------- --------- A A 1 -4R A A 2 -3R G A 3 -2R T A 4 -1R A A 5 1R C A 6 2R A A 7 3R A A 8 4R A A 9 5R C A 10 6R T A 11 7R T A 12 7'L T A 13 6'L C A 14 5'L T A 15 4'L T A 16 3'L G A 17 2'L T A 18 1'L A A 19 -1'L T A 20 -2'L T B 1 -3L A B 2 -2L T B 3 -1L A B 4 1L C B 5 2L A B 6 3L A B 7 4L G B 8 5L A B 9 6L A B 10 7L A B 11 7'R G B 12 6'R T B 13 5'R T B 14 4'R T B 15 3'R G B 16 2'R T B 17 1'R A B 18 -1'R C B 19 -2'R T B 20 -3'R

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.36 Å3/Da / Density % sol: 47.95 %
Crystal growTemperature: 277 K / pH: 6.2 / Details: pH 6.20, temperature 277.00K
Components of the solutions
IDNameCrystal-IDSol-ID
1WATER11
2PEG 350011
3MES11
4NACL11
5MGCL211
6SPERMINE11
Crystal grow
*PLUS
Temperature: 4 ℃ / Method: unknown / pH: 6.2
Components of the solutions
*PLUS
IDConc.Common nameCrystal-IDSol-IDDetailsChemical formula
112 %(w/v)PEG350012
2100 mMMES12pH6.2
3160 mM12NaCl
4120 mM12MgCl
52 mMspermine12
62 mMprotein1
71 mMDNA11

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Data collection

DiffractionMean temperature: 277 K
Diffraction sourceSource: ROTATING ANODE / Type: ELLIOTT GX-13
DetectorType: XENTRONICS / Detector: AREA DETECTOR
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthRelative weight: 1
ReflectionHighest resolution: 2.5 Å / Num. obs: 7232
Reflection
*PLUS
Highest resolution: 2.5 Å / Rmerge(I) obs: 0.101

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Processing

SoftwareName: TNT / Classification: refinement
RefinementResolution: 2.5→10 Å
Details: DENSITY FOR THE LAST SIX CARBOXY TERMINAL RESIDUES (64 - 70) WAS NOT OBSERVED IN THE MAP AT ANY STAGE OF THE REFINEMENT AND THESE RESIDUES ARE PROBABLY DISORDERED.
RfactorNum. reflection
obs0.22 5351
Refinement stepCycle: LAST / Resolution: 2.5→10 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms1042 814 0 25 1881
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONt_bond_d0.01
X-RAY DIFFRACTIONt_angle_deg2.3
X-RAY DIFFRACTIONt_dihedral_angle_d
X-RAY DIFFRACTIONt_incorr_chiral_ct
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_trig_c_planes
X-RAY DIFFRACTIONt_gen_planes0.01
X-RAY DIFFRACTIONt_it
X-RAY DIFFRACTIONt_nbd
Refinement
*PLUS
Highest resolution: 2.5 Å / Lowest resolution: 10 Å / Rfactor obs: 0.22
Solvent computation
*PLUS
Displacement parameters
*PLUS
Refine LS restraints
*PLUS
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONt_angle_d
X-RAY DIFFRACTIONt_angle_deg2.3
X-RAY DIFFRACTIONt_plane_restr0.01

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