+Open data
-Basic information
Entry | Database: PDB / ID: 7qli | |||||||||
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Title | Cis structure of rsKiiro at 290 K | |||||||||
Components | rsKiiro | |||||||||
Keywords | FLUORESCENT PROTEIN / rsKiiro | |||||||||
Function / homology | Green fluorescent protein, GFP / Green fluorescent protein-related / Green fluorescent protein / Green fluorescent protein / bioluminescence / generation of precursor metabolites and energy / Green to red photoconvertible GFP-like protein EosFP Function and homology information | |||||||||
Biological species | Lobophyllia hemprichii (invertebrata) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.155 Å | |||||||||
Authors | van Thor, J.J. / Baxter, J.M. | |||||||||
Funding support | United Kingdom, 1items
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Citation | Journal: Nat.Chem. / Year: 2023 Title: Optical control of ultrafast structural dynamics in a fluorescent protein. Authors: Hutchison, C.D.M. / Baxter, J.M. / Fitzpatrick, A. / Dorlhiac, G. / Fadini, A. / Perrett, S. / Maghlaoui, K. / Lefevre, S.B. / Cordon-Preciado, V. / Ferreira, J.L. / Chukhutsina, V.U. / ...Authors: Hutchison, C.D.M. / Baxter, J.M. / Fitzpatrick, A. / Dorlhiac, G. / Fadini, A. / Perrett, S. / Maghlaoui, K. / Lefevre, S.B. / Cordon-Preciado, V. / Ferreira, J.L. / Chukhutsina, V.U. / Garratt, D. / Barnard, J. / Galinis, G. / Glencross, F. / Morgan, R.M. / Stockton, S. / Taylor, B. / Yuan, L. / Romei, M.G. / Lin, C.Y. / Marangos, J.P. / Schmidt, M. / Chatrchyan, V. / Buckup, T. / Morozov, D. / Park, J. / Park, S. / Eom, I. / Kim, M. / Jang, D. / Choi, H. / Hyun, H. / Park, G. / Nango, E. / Tanaka, R. / Owada, S. / Tono, K. / DePonte, D.P. / Carbajo, S. / Seaberg, M. / Aquila, A. / Boutet, S. / Barty, A. / Iwata, S. / Boxer, S.G. / Groenhof, G. / van Thor, J.J. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7qli.cif.gz | 115.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7qli.ent.gz | 85.2 KB | Display | PDB format |
PDBx/mmJSON format | 7qli.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7qli_validation.pdf.gz | 443.3 KB | Display | wwPDB validaton report |
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Full document | 7qli_full_validation.pdf.gz | 444.2 KB | Display | |
Data in XML | 7qli_validation.xml.gz | 13.1 KB | Display | |
Data in CIF | 7qli_validation.cif.gz | 19.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ql/7qli ftp://data.pdbj.org/pub/pdb/validation_reports/ql/7qli | HTTPS FTP |
-Related structure data
Related structure data | 7qljC 7qlkC 7qllC 7qlmC 7qlnC 7qloC 5oq9S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 25152.490 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lobophyllia hemprichii (invertebrata) / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q5S6Z9 | ||||
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#2: Chemical | ChemComp-GOL / | ||||
#3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.52 % |
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Crystal grow | Temperature: 293 K / Method: batch mode Details: 0.2 M LITHIUM SULFATE 0.1 M TRIS-CL PH 8.5 23-30% PEG 3350, |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.7293 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 3, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.7293 Å / Relative weight: 1 |
Reflection | Resolution: 1.155→53.549 Å / Num. obs: 59836 / % possible obs: 77 % / Redundancy: 13.2 % / CC1/2: 0.999 / Rmerge(I) obs: 0.122 / Rrim(I) all: 0.127 / Net I/σ(I): 12.1 |
Reflection shell | Resolution: 1.159→1.261 Å / Num. unique obs: 2992 / CC1/2: 0.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5OQ9 Resolution: 1.155→53.549 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.971 / WRfactor Rfree: 0.17 / WRfactor Rwork: 0.151 / SU B: 0.78 / SU ML: 0.033 / Average fsc free: 0.927 / Average fsc work: 0.931 / Cross valid method: FREE R-VALUE / ESU R: 0.044 / ESU R Free: 0.045 Details: Hydrogens have been added in their riding positions
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.723 Å2
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Refinement step | Cycle: LAST / Resolution: 1.155→53.549 Å
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Refine LS restraints |
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LS refinement shell |
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