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- PDB-3eog: Co-crystallization showing exon recognition by a group II intron -

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Basic information

Entry
Database: PDB / ID: 3eog
TitleCo-crystallization showing exon recognition by a group II intron
Components
  • 5'-R(*UP*UP*AP*UP*UP*A)-3'
  • Group IIC intron
KeywordsRNA / Ribonucleic acid / Intron / Group II / exon
Function / homology: / RNA / RNA (> 10) / RNA (> 100)
Function and homology information
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.391 Å
AuthorsToor, N. / Rajashankar, K. / Keating, K.S. / Pyle, A.M.
CitationJournal: Nat.Struct.Mol.Biol. / Year: 2008
Title: Structural basis for exon recognition by a group II intron.
Authors: Toor, N. / Rajashankar, K. / Keating, K.S. / Pyle, A.M.
History
DepositionSep 26, 2008Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 28, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 21, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Group IIC intron
B: 5'-R(*UP*UP*AP*UP*UP*A)-3'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)136,67444
Polymers135,4902
Non-polymers1,18442
Water27015
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5890 Å2
ΔGint-269 kcal/mol
Surface area57320 Å2
MethodPISA
Unit cell
Length a, b, c (Å)88.485, 95.078, 225.043
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: RNA chain Group IIC intron


Mass: 133652.156 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: Oceanobacillus iheyensis sequence modified using PCR mutagenesis
#2: RNA chain 5'-R(*UP*UP*AP*UP*UP*A)-3'


Mass: 1838.117 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Ligated exon construct
#3: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 31 / Source method: obtained synthetically / Formula: Mg
#4: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: K
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 15 / 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: 3.53 Å3/Da / Density % sol: 65.15 %
Crystal growTemperature: 303 K / pH: 7
Details: 6% PEG 3350, 150 mM magnesium acetate, 350 mM KCL, 50 mM Na-HEPES pH 7.0, 0.5 mM spermine, VAPOR DIFFUSION, SITTING DROP, temperature 303K
Components of the solutions
IDNameCrystal-IDSol-ID
1PEG 335011
2magnesium acetate11
3KCL11
4Na-HEPES11
5spermine11
6PEG 335012
7magnesium acetate12
8KCL12

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9795
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 18, 2008
RadiationMonochromator: SILICON / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 3.391→48.6 Å / Num. obs: 27468

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Processing

SoftwareName: PHENIX / Version: (phenix.refine) / Classification: refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.391→48.419 Å / SU ML: 0.52 / σ(F): 0.21 / Phase error: 24.59 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2625 1312 5.02 %
Rwork0.2077 --
obs0.2105 26156 96.64 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 37.958 Å2 / ksol: 0.173 e/Å3
Refinement stepCycle: LAST / Resolution: 3.391→48.419 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms0 8396 42 15 8453
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0049405
X-RAY DIFFRACTIONf_angle_d1.48814667
X-RAY DIFFRACTIONf_dihedral_angle_d28.8995439
X-RAY DIFFRACTIONf_chiral_restr0.0781959
X-RAY DIFFRACTIONf_plane_restr0.005388
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.391-3.52670.32581330.26292505X-RAY DIFFRACTION90
3.5267-3.68720.26611390.24122656X-RAY DIFFRACTION94
3.6872-3.88150.27971440.20572679X-RAY DIFFRACTION96
3.8815-4.12460.25611420.20272725X-RAY DIFFRACTION97
4.1246-4.44280.24541470.19772765X-RAY DIFFRACTION98
4.4428-4.88950.23911480.18742809X-RAY DIFFRACTION99
4.8895-5.59620.22561490.17472849X-RAY DIFFRACTION99
5.5962-7.04710.26531520.18762879X-RAY DIFFRACTION100
7.0471-48.42380.27421580.22572977X-RAY DIFFRACTION98
Refinement TLS params.Method: refined / Origin x: 19.2473 Å / Origin y: 86.149 Å / Origin z: 363.1506 Å
111213212223313233
T0.6481 Å20.0114 Å2-0.0286 Å2-0.5989 Å2-0.077 Å2--0.5729 Å2
L0.454 °2-0.2826 °20.4671 °2-0.5886 °2-0.4532 °2--0.7312 °2
S-0.1312 Å °-0.1246 Å °0.1041 Å °0.2677 Å °0.0687 Å °-0.1768 Å °-0.185 Å °-0.0404 Å °0.056 Å °
Refinement TLS groupSelection details: all

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