- PDB-1z21: Crystal structure of the core domain of Yersinia pestis virulence... -
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Basic information
Entry
Database: PDB / ID: 1z21
Title
Crystal structure of the core domain of Yersinia pestis virulence factor YopR
Components
Yop proteins translocation protein H
Keywords
CELL INVASION / Yersinia pestis / plague / type III secretion / YopR / yop
Function / homology
Function and homology information
type III protein secretion system complex / protein secretion by the type III secretion system / : Similarity search - Function
Type III secretion system virulence factor YopR, core domain / Type III secretion system effector YopR / Type III secretion system virulence factor YopR, core domain / YopR, type III needle-polymerisation regulator / Arc Repressor Mutant, subunit A / Orthogonal Bundle / Mainly Alpha Similarity search - Domain/homology
Method to determine structure: MIR / Resolution: 1.499→22.81 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.936 / SU B: 2.544 / SU ML: 0.082 / Cross valid method: THROUGHOUT / σ(F): 2 / ESU R: 0.112 / ESU R Free: 0.11 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23833
640
5 %
RANDOM
Rwork
0.20357
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all
0.2691
17807
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obs
0.20526
12054
71.36 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parameters
Biso mean: 21.596 Å2
Refinement step
Cycle: LAST / Resolution: 1.499→22.81 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
771
0
0
118
889
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.008
0.021
777
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.02
731
X-RAY DIFFRACTION
r_angle_refined_deg
1.019
1.978
1052
X-RAY DIFFRACTION
r_angle_other_deg
0.743
3
1692
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.588
5
94
X-RAY DIFFRACTION
r_chiral_restr
0.057
0.2
123
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
840
X-RAY DIFFRACTION
r_gen_planes_other
0.008
0.02
145
X-RAY DIFFRACTION
r_nbd_refined
0.25
0.2
310
X-RAY DIFFRACTION
r_nbd_other
0.222
0.2
857
X-RAY DIFFRACTION
r_nbtor_other
0.084
0.2
430
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.216
0.2
21
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.277
0.2
51
X-RAY DIFFRACTION
r_symmetry_vdw_other
0.177
0.2
40
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.18
0.2
1
X-RAY DIFFRACTION
r_mcbond_it
0.667
1.5
479
X-RAY DIFFRACTION
r_mcangle_it
1.285
2
770
X-RAY DIFFRACTION
r_scbond_it
1.762
3
298
X-RAY DIFFRACTION
r_scangle_it
3.013
4.5
282
LS refinement shell
Resolution: 1.5→1.539 Å / Total num. of bins used: 20 /
Rfactor
Num. reflection
Rfree
0.29
19
Rwork
0.405
327
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