+Open data
-Basic information
Entry | Database: PDB / ID: 4lqb | ||||||
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Title | Crystal structure of uncharacterized protein Kfla3161 | ||||||
Components | Uncharacterized protein | ||||||
Keywords | UNKNOWN FUNCTION / MCSG / STRUCTURAL GENOMICS / PSI-BIOLOGY / MIDWEST CENTER FOR STRUCTURAL GENOMICS / UNKOWN FUNCTION | ||||||
Function / homology | Glyoxalase-like domain, group 6 / Glyoxalase-like domain / 2,3-Dihydroxybiphenyl 1,2-Dioxygenase, domain 1 / 2,3-Dihydroxybiphenyl 1,2-Dioxygenase; domain 1 / Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase / Roll / Alpha Beta / CITRIC ACID / Glyoxalase_6 domain-containing protein Function and homology information | ||||||
Biological species | Kribbella flavida (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.72 Å | ||||||
Authors | Chang, C. / Chhor, G. / Endres, M. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: To be Published Title: Crystal structure of uncharacterized protein Kfla3161 Authors: Chang, C. / Chhor, G. / Endres, M. / Joachimiak, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4lqb.cif.gz | 114.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4lqb.ent.gz | 94.7 KB | Display | PDB format |
PDBx/mmJSON format | 4lqb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4lqb_validation.pdf.gz | 450.1 KB | Display | wwPDB validaton report |
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Full document | 4lqb_full_validation.pdf.gz | 450.1 KB | Display | |
Data in XML | 4lqb_validation.xml.gz | 13.9 KB | Display | |
Data in CIF | 4lqb_validation.cif.gz | 19.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lq/4lqb ftp://data.pdbj.org/pub/pdb/validation_reports/lq/4lqb | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 14060.436 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Kribbella flavida (bacteria) / Strain: DSM 17836 / Gene: Kfla_3161 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)magic / References: UniProt: D2Q399 #2: Chemical | #3: Chemical | ChemComp-CIT / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.99 Å3/Da / Density % sol: 38.14 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2M di-Ammonium hydrogen citrate, 20% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97935, 0.97948 | |||||||||
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 8, 2012 | |||||||||
Radiation | Monochromator: SI(111) double crystal / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||
Radiation wavelength |
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Reflection | Resolution: 1.72→50 Å / Num. all: 24505 / Num. obs: 24257 / % possible obs: 99 % / Observed criterion σ(I): -3 / Redundancy: 5.9 % / Rmerge(I) obs: 0.107 / Net I/σ(I): 17.8 | |||||||||
Reflection shell | Resolution: 1.72→1.75 Å / Redundancy: 4.5 % / Rmerge(I) obs: 0.763 / Mean I/σ(I) obs: 2.15 / Num. unique all: 1200 / % possible all: 99.5 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.72→37.18 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.957 / Occupancy max: 1 / Occupancy min: 0.5 / SU B: 4.309 / SU ML: 0.064 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.26 / ESU R Free: 0.104 Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 97.7 Å2 / Biso mean: 21.1146 Å2 / Biso min: 11.36 Å2
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Refinement step | Cycle: LAST / Resolution: 1.72→37.18 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.721→1.765 Å / Total num. of bins used: 20
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