- PDB-5kbg: CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLE... -
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ID or keywords:
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Basic information
Entry
Database: PDB / ID: 5kbg
Title
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH OCRESOL
Components
MopR
Keywords
TRANSCRIPTION / AROMATIC SENSOR
Function / homology
Function and homology information
sequence-specific DNA binding / regulation of DNA-templated transcription / ATP hydrolysis activity / ATP binding / metal ion binding Similarity search - Function
Activator of aromatic catabolism / Activator of aromatic catabolism / 4-vinyl reductase, 4VR / V4R domain / V4R / Sigma-54 interaction domain ATP-binding region A signature. / Sigma-54 interaction domain, conserved site / Sigma-54 interaction domain C-terminal part signature. / Sigma-54 interaction domain, ATP-binding site 2 / Sigma-54 interaction domain ATP-binding region B signature. ...Activator of aromatic catabolism / Activator of aromatic catabolism / 4-vinyl reductase, 4VR / V4R domain / V4R / Sigma-54 interaction domain ATP-binding region A signature. / Sigma-54 interaction domain, conserved site / Sigma-54 interaction domain C-terminal part signature. / Sigma-54 interaction domain, ATP-binding site 2 / Sigma-54 interaction domain ATP-binding region B signature. / Sigma-54 interaction domain, ATP-binding site 1 / Sigma-54 interaction domain profile. / Sigma-54 interaction domain / RNA polymerase sigma factor 54 interaction domain / NO signalling/Golgi transport ligand-binding domain superfamily / DNA binding HTH domain, Fis-type / Bacterial regulatory protein, Fis family / Homeobox-like domain superfamily / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / P-loop containing nucleoside triphosphate hydrolase Similarity search - Domain/homology
Monochromator: SI / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.95 Å / Relative weight: 1
Reflection
Resolution: 2.8→20 Å / Num. obs: 12992 / % possible obs: 99 % / Observed criterion σ(I): 2 / Redundancy: 5.52 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 11.51
Reflection shell
Resolution: 2.8→2.85 Å / Redundancy: 5.65 % / Rmerge(I) obs: 0.657 / Mean I/σ(I) obs: 3.18 / % possible all: 97.5
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
XDS
datareduction
Aimless
datascaling
Auto-Rickshaw
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.8→19.54 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.873 / SU B: 14.216 / SU ML: 0.285 / Cross valid method: THROUGHOUT / ESU R Free: 0.404 / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26907
966
7.5 %
RANDOM
Rwork
0.18827
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obs
0.19432
11940
98.93 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å