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- PDB-2dd9: A mutant of GFP-like protein from Chiridius poppei -

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Basic information

Entry
Database: PDB / ID: 2dd9
TitleA mutant of GFP-like protein from Chiridius poppei
Componentsgreen fluorescent protein
KeywordsLUMINESCENT PROTEIN / GFP-LIKE PROTEIN / FLUORESCENT PROTEIN
Function / homologyGreen Fluorescent Protein / Green fluorescent protein / Green fluorescent protein-related / Green fluorescent protein / Green fluorescent protein / bioluminescence / Beta Barrel / Mainly Beta / Green fluorescent protein
Function and homology information
Biological speciesChiridius poppei (crustacean)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
AuthorsSuto, K. / Masuda, H. / Takenaka, Y. / Mizuno, H.
CitationJournal: Genes Cells / Year: 2009
Title: Structural basis for red-shifted emission of a GFP-like protein from the marine copepod Chiridius poppei
Authors: Suto, K. / Masuda, H. / Takenaka, Y. / Tsuji, F.I. / Mizuno, H.
History
DepositionJan 24, 2006Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jan 23, 2007Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 10, 2021Group: Database references / Derived calculations
Category: database_2 / struct_conn ...database_2 / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details / _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: green fluorescent protein
B: green fluorescent protein
C: green fluorescent protein
D: green fluorescent protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)99,47710
Polymers98,3354
Non-polymers1,1426
Water8,809489
1
A: green fluorescent protein
B: green fluorescent protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,0887
Polymers49,1682
Non-polymers9215
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3320 Å2
ΔGint-5 kcal/mol
Surface area17950 Å2
MethodPISA
2
C: green fluorescent protein
D: green fluorescent protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)49,3893
Polymers49,1682
Non-polymers2211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3150 Å2
ΔGint-8 kcal/mol
Surface area18460 Å2
MethodPISA
Unit cell
Length a, b, c (Å)108.750, 113.990, 133.410
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
green fluorescent protein / Yellowish-green fluorescent protein


Mass: 24583.820 Da / Num. of mol.: 4 / Mutation: H52T
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Chiridius poppei (crustacean) / Plasmid: pET-101 / Production host: Escherichia coli (E. coli) / References: UniProt: Q2MHN7
#2: Chemical
ChemComp-CXS / 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID


Mass: 221.317 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C9H19NO3S / Comment: pH buffer*YM
#3: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 489 / Source method: isolated from a natural source / Formula: H2O
Sequence detailsGLY 55, TYR 56 AND GLY 57 ARE MODIFIED TO MAKE CHROMOPHORE (CR2 56).

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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: 4.21 Å3/Da / Density % sol: 70.75 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 10.5
Details: 0.1M CAPS (pH 10.5), 2.6M Ammonium sulfate, 0.2M Sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NW12A / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: Mar 7, 2005
RadiationMonochromator: SILICON (1 1 1) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.3→50 Å / Num. obs: 74303 / % possible obs: 100 % / Observed criterion σ(I): 2 / Biso Wilson estimate: 16.3 Å2
Reflection shellResolution: 2.3→2.42 Å / % possible all: 100

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Processing

Software
NameVersionClassification
CNS1.1refinement
MOSFLMdata reduction
CCP4(SCALA)data scaling
CNXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→29.81 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 2721110.33 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
RfactorNum. reflection% reflectionSelection details
Rfree0.218 3759 5.1 %RANDOM
Rwork0.185 ---
obs0.185 74206 99.9 %-
Solvent computationSolvent model: FLAT MODEL / Bsol: 34.8139 Å2 / ksol: 0.390465 e/Å3
Displacement parametersBiso mean: 23.2 Å2
Baniso -1Baniso -2Baniso -3
1--0.36 Å20 Å20 Å2
2--2.08 Å20 Å2
3----1.71 Å2
Refine analyze
FreeObs
Luzzati coordinate error0.26 Å0.22 Å
Luzzati d res low-5 Å
Luzzati sigma a0.19 Å0.15 Å
Refinement stepCycle: LAST / Resolution: 2.3→29.81 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6876 0 71 489 7436
Refine LS restraints
Refine-IDTypeDev idealDev ideal target
X-RAY DIFFRACTIONc_bond_d0.008
X-RAY DIFFRACTIONc_bond_d_na
X-RAY DIFFRACTIONc_bond_d_prot
X-RAY DIFFRACTIONc_angle_d
X-RAY DIFFRACTIONc_angle_d_na
X-RAY DIFFRACTIONc_angle_d_prot
X-RAY DIFFRACTIONc_angle_deg1.5
X-RAY DIFFRACTIONc_angle_deg_na
X-RAY DIFFRACTIONc_angle_deg_prot
X-RAY DIFFRACTIONc_dihedral_angle_d26.6
X-RAY DIFFRACTIONc_dihedral_angle_d_na
X-RAY DIFFRACTIONc_dihedral_angle_d_prot
X-RAY DIFFRACTIONc_improper_angle_d0.77
X-RAY DIFFRACTIONc_improper_angle_d_na
X-RAY DIFFRACTIONc_improper_angle_d_prot
X-RAY DIFFRACTIONc_mcbond_it2.11.5
X-RAY DIFFRACTIONc_mcangle_it3.062
X-RAY DIFFRACTIONc_scbond_it4.012
X-RAY DIFFRACTIONc_scangle_it5.712.5
LS refinement shellResolution: 2.3→2.44 Å / Rfactor Rfree error: 0.009 / Total num. of bins used: 6
RfactorNum. reflection% reflection
Rfree0.225 642 5.3 %
Rwork0.192 11537 -
obs--100 %
Xplor file
Refine-IDSerial noParam fileTopol file
X-RAY DIFFRACTION1protein_rep.paramprotein.top
X-RAY DIFFRACTION2water_rep.paramwater.top
X-RAY DIFFRACTION3ion.paramion.top
X-RAY DIFFRACTION4GYG.paramGYG.top

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