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- PDB-4xkc: Crystal Structure of GENOMES UNCOUPLED 4 (GUN4) in Complex with M... -

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Basic information

Entry
Database: PDB / ID: 4xkc
TitleCrystal Structure of GENOMES UNCOUPLED 4 (GUN4) in Complex with Magnesium Deuteroporphyrin IX
ComponentsYcf53-like protein
KeywordsLIGAND BINDING PROTEIN / Gun4 / Mg Deuteroporphyrin IX / Porphyrin-binding
Function / homology
Function and homology information


tetrapyrrole binding
Similarity search - Function
Gun4-like / Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat - #620 / GUN4, N-terminal ARM-like repeat domain / ARM-like repeat domain, GUN4-N terminal / GUN4-like / GUN4-like superfamily / GUN4-like / Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat / Alpha Horseshoe / Arc Repressor Mutant, subunit A ...Gun4-like / Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat - #620 / GUN4, N-terminal ARM-like repeat domain / ARM-like repeat domain, GUN4-N terminal / GUN4-like / GUN4-like superfamily / GUN4-like / Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat / Alpha Horseshoe / Arc Repressor Mutant, subunit A / Armadillo-type fold / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Magnesium deuteroporphyrin IX / Ycf53-like protein
Similarity search - Component
Biological speciesSynechocystis sp. (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2 Å
AuthorsChen, X. / Pu, H. / Liu, L.
CitationJournal: Mol Plant / Year: 2015
Title: Crystal Structures of GUN4 in Complex with Porphyrins.
Authors: Chen, X. / Pu, H. / Wang, X. / Long, W. / Lin, R. / Liu, L.
History
DepositionJan 11, 2015Deposition site: RCSB / Processing site: PDBJ
Revision 1.0May 20, 2015Provider: repository / Type: Initial release
Revision 1.1Jul 15, 2015Group: Database references
Revision 1.2Jul 22, 2015Group: Database references
Revision 1.3Mar 20, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Source and taxonomy / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / entity_src_gen / pdbx_struct_assembly / pdbx_struct_oper_list / struct_keywords
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_src_gen.pdbx_alt_source_flag / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation / _struct_keywords.text

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Ycf53-like protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,0242
Polymers26,4911
Non-polymers5331
Water4,432246
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)32.849, 64.026, 106.144
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 Ycf53-like protein


Mass: 26490.906 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. (strain PCC 6803 / Kazusa) (bacteria)
Strain: PCC 6803 / Kazusa / Gene: sll0558 / Production host: Escherichia coli (E. coli) / References: UniProt: P72583
#2: Chemical ChemComp-MD9 / Magnesium deuteroporphyrin IX


Mass: 532.873 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C30H28MgN4O4
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 246 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.11 Å3/Da / Density % sol: 41.62 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / Details: sodium cacodylate, sodium chloride, PEG 3350 / PH range: 6.2

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.9793 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 14, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9793 Å / Relative weight: 1
ReflectionResolution: 2→50 Å / Num. obs: 16064 / % possible obs: 99.9 % / Redundancy: 7 % / Net I/σ(I): 18.7

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Processing

Software
NameVersionClassification
HKL-2000refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
PHENIX(phenix.refine: 1.8.1_1168)refinement
RefinementResolution: 2→32.013 Å / SU ML: 0.25 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.34 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2289 799 5.11 %
Rwork0.1817 --
obs0.1841 15627 98.97 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2→32.013 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms1794 0 39 246 2079
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0081942
X-RAY DIFFRACTIONf_angle_d1.1912674
X-RAY DIFFRACTIONf_dihedral_angle_d13.744719
X-RAY DIFFRACTIONf_chiral_restr0.048280
X-RAY DIFFRACTIONf_plane_restr0.003340
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.12530.27871200.20412289X-RAY DIFFRACTION94
2.1253-2.28930.23821310.19062456X-RAY DIFFRACTION100
2.2893-2.51970.23541440.18152456X-RAY DIFFRACTION100
2.5197-2.8840.25651250.19492482X-RAY DIFFRACTION100
2.884-3.63280.22891260.18422517X-RAY DIFFRACTION100
3.6328-32.01710.20231530.16592628X-RAY DIFFRACTION100

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