- PDB-7yyg: Crystal structure of gatekeeper of type III secretion system in B... -
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ID or keywords:
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Basic information
Entry
Database: PDB / ID: 7yyg
Title
Crystal structure of gatekeeper of type III secretion system in Bordetella BopN
Components
Putative outer protein N
Keywords
IMMUNOSUPPRESSANT / The type III secretion system / Whooping cough / Immunosuppressive modulator / Bordetella pertussis
Function / homology
Function and homology information
protein secretion by the type III secretion system / outer membrane / negative regulation of protein secretion / cell surface Similarity search - Function
Type III secretion system effector delivery regulator TyeA / TyeA / TyeA superfamily / Type III secretion system effector delivery regulator TyeA-related / Type III secretion regulator, YopN/LcrE/InvE/MxiC / Hypersensitivity response secretion-like, HrpJ / HrpJ-like domain Similarity search - Domain/homology
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.987 Å / Relative weight: 1
Reflection
Resolution: 1.95→43.93 Å / Num. obs: 26601 / % possible obs: 97.5 % / Redundancy: 8.88 % / Biso Wilson estimate: 36.5 Å2 / CC1/2: 0.99 / Rrim(I) all: 0.1 / Net I/σ(I): 18.7
Reflection shell
Resolution: 1.95→2 Å / Mean I/σ(I) obs: 1.75 / Num. unique obs: 4088 / CC1/2: 0.73 / Rrim(I) all: 0.127
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0267
refinement
XDS
datareduction
XDS
datascaling
Arcimboldo
phasing
Refinement
Method to determine structure: AB INITIO PHASING / Resolution: 1.95→43.93 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.961 / SU B: 7.515 / SU ML: 0.103 / Cross valid method: THROUGHOUT / ESU R: 0.134 / ESU R Free: 0.123 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20709
1400
5 %
RANDOM
Rwork
0.17968
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obs
0.18103
26586
99.91 %
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Solvent computation
Ion probe radii: 0.7 Å / Shrinkage radii: 0.7 Å / VDW probe radii: 1 Å / Solvent model: MASK