- PDB-3wur: Structure of DMP19 Complex with 18-crown-6 -
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ID or keywords:
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Basic information
Entry
Database: PDB / ID: 3wur
Title
Structure of DMP19 Complex with 18-crown-6
Components
Uncharacterized protein
Keywords
GENE REGULATION / helix bundle / DNA mimic
Function / homology
A middle domain of Talin 1 - #60 / Domain of unknown function DUF4375 / Domain of unknown function (DUF4375) / A middle domain of Talin 1 / Up-down Bundle / Mainly Alpha / 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE / L(+)-TARTARIC ACID / DUF4375 domain-containing protein
Function and homology information
Biological species
Neisseria meningitidis (bacteria)
Method
X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.45 Å
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.45→30 Å / Num. obs: 71243 / % possible obs: 98 % / Redundancy: 9.7 % / Rmerge(I) obs: 0.041 / Rsym value: 0.041 / Net I/σ(I): 58.4
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Processing
Software
Name
Version
Classification
HKL-2000
datacollection
PHENIX
modelbuilding
REFMAC
5.7.0032
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.45→29.6 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.946 / SU B: 0.894 / SU ML: 0.035 / Cross valid method: THROUGHOUT / ESU R: 0.061 / ESU R Free: 0.066 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.204
3570
5 %
RANDOM
Rwork
0.169
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obs
0.17
67437
97.8 %
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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