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- PDB-8qqo: Continuously illuminated structure of Sensory Rhodopsin II solved... -

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Basic information

Entry
Database: PDB / ID: 8qqo
TitleContinuously illuminated structure of Sensory Rhodopsin II solved by serial millisecond crystallography
ComponentsSensory rhodopsin-2
KeywordsSIGNALING PROTEIN / SRII / serial millisecond crystallography / sensory rhodopsin / sensory rhodopsin II / SMX / SSX
Function / homology
Function and homology information


photoreceptor activity / monoatomic ion channel activity / phototransduction / plasma membrane
Similarity search - Function
Bacterial rhodopsins retinal binding site. / Bacterial rhodopsins signature 1. / Rhodopsin, retinal binding site / Bacteriorhodopsin-like protein / Archaeal/bacterial/fungal rhodopsins / Bacteriorhodopsin-like protein
Similarity search - Domain/homology
RETINAL / Sensory rhodopsin-2
Similarity search - Component
Biological speciesNatronomonas pharaonis (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.47 Å
AuthorsBosman, R. / Ortolani, G. / Branden, G. / Neutze, R.
Funding supportEuropean Union, 1items
OrganizationGrant numberCountry
H2020 Marie Curie Actions of the European Commission637295European Union
CitationJournal: To Be Published
Title: Structural basis of the prolonged photocycle of Sensory Rhodopsin II revealed by serial millisecond crystallography
Authors: Bosman, R. / Ortolani, G. / Branden, G. / Neutze, R.
History
DepositionOct 5, 2023Deposition site: PDBE / Processing site: PDBE
SupersessionOct 18, 2023ID: 7Q88
Revision 1.0Oct 18, 2023Provider: repository / Type: Initial release
Revision 1.1Oct 9, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Sensory rhodopsin-2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)26,9512
Polymers26,6661
Non-polymers2841
Water68538
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area770 Å2
ΔGint-2 kcal/mol
Surface area10130 Å2
Unit cell
Length a, b, c (Å)89.750, 131.700, 51.000
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221
Space group name HallC2c2
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z+1/2
#4: -x,-y,z+1/2
#5: x+1/2,y+1/2,z
#6: x+1/2,-y+1/2,-z
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2
Components on special symmetry positions
IDModelComponents
11A-434-

HOH

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Components

#1: Protein Sensory rhodopsin-2 / Sensory rhodopsin II / SR-II


Mass: 26666.137 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Natronomonas pharaonis (archaea) / Gene: sop2, sopII / Production host: Escherichia coli (E. coli) / References: UniProt: P42196
#2: Chemical ChemComp-RET / RETINAL


Mass: 284.436 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C20H28O / Feature type: SUBJECT OF INVESTIGATION
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 38 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
Has protein modificationY

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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: 2.83 Å3/Da / Density % sol: 56.47 %
Crystal growTemperature: 296 K / Method: lipidic cubic phase
Details: CaCl2 150mM, Glycine 100mM, 38%(v/v) PEG 400, pH 7.5

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Data collection

DiffractionMean temperature: 296 K / Serial crystal experiment: Y
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1.0000342 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 15, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0000342 Å / Relative weight: 1
ReflectionResolution: 2.47→44.9 Å / Num. obs: 16876 / % possible obs: 100 % / Redundancy: 256.1 % / Biso Wilson estimate: 30.74 Å2 / CC1/2: 0.994 / Net I/σ(I): 7.3
Reflection shellResolution: 2.47→2.5 Å / Num. unique obs: 16876 / CC1/2: 0.448
Serial crystallography sample deliveryMethod: injection

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
CrystFELdata reduction
CrystFELdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.47→44.88 Å / SU ML: 0.4279 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 38.5874
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2798 812 4.81 %
Rwork0.2373 16064 -
obs0.2395 16876 93.43 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 41.47 Å2
Refinement stepCycle: LAST / Resolution: 2.47→44.88 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms1645 0 20 38 1703
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00883414
X-RAY DIFFRACTIONf_angle_d1.20494676
X-RAY DIFFRACTIONf_chiral_restr0.0659564
X-RAY DIFFRACTIONf_plane_restr0.0095562
X-RAY DIFFRACTIONf_dihedral_angle_d16.73521136
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.47-2.650.33261360.30872844X-RAY DIFFRACTION99.9
2.65-3.030.34791390.28132847X-RAY DIFFRACTION99.93
3.03-3.820.26491450.23382872X-RAY DIFFRACTION99.93
3.82-44.880.22891700.18432980X-RAY DIFFRACTION99.9

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