Evidence: NMR relaxation study, NMR relaxation parameters consistent with intact monomer, gel filtration, Single peak in chromatogram corresponding to both fragments of autoproteolyzed sample
Type
Name
Symmetry operation
Number
identity operation
1_555
1
NMR ensembles
Data
Criteria
Number of conformers (submitted / calculated)
20 / 200
structures with the lowest energy
Representative
Model #1
lowest energy
-
Components
#1: Protein/peptide
Anti-sigma-IfactorRsgI9
Mass: 2376.539 Da / Num. of mol.: 1 / Fragment: UNP residues 167-188 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acetivibrio thermocellus DSM 1313 (bacteria) Gene: rsgI9, Cthe_0260 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: A3DC20
#2: Protein
Anti-sigma-IfactorRsgI9
Mass: 17661.021 Da / Num. of mol.: 1 / Fragment: UNP residues 189-343 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acetivibrio thermocellus DSM 1313 (bacteria) Gene: rsgI9 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: A3DC20
-
Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Sample state
Spectrometer-ID
Type
1
1
1
isotropic
1
2D 1H-15N TROSY
2
2
2
isotropic
2
2D 1H-13C HSQC aliphatic
2
3
2
isotropic
2
2D 1H-13C HSQC aromatic
2
4
2
isotropic
2
2D 1H-1H TOCSY
2
5
2
isotropic
2
2D 1H-1H COSY
1
6
1
isotropic
2
3D HNCO
1
7
1
isotropic
2
3DHN(CA)CO
1
8
1
isotropic
2
3D HNCA
1
9
1
isotropic
2
3DHN(COCA)CB
1
10
1
isotropic
2
3D HN(CA)CB
2
11
2
isotropic
2
3D (H)CCH-COSY
1
12
1
isotropic
2
3D HNHA
1
13
1
isotropic
2
3D 1H-15N NOESY
2
14
2
isotropic
1
3D 1H-13C NOESY aliphatic
1
15
1
isotropic
1
3D 1H-13C NOESY aliphatic
1
16
1
isotropic
1
1H-15N heteronoe
-
Sample preparation
Details
Type
Solution-ID
Contents
Label
Solvent system
solution
1
200 uM [U-13C; U-15N] RsgI9 CRE, 0.03 % sodium azide, 50 mM sodium phosphate, 200 mM sodium chloride, 8 % [U-2H] D2O, 93% H2O/7% D2O
13C15Nsample, water
93% H2O/7% D2O
solution
2
200 uM [U-13C; U-15N] RsgI9 CRE, 0.03 % sodium azide, 50 mM sodium phosphate, 200 mM sodium chloride, 100 % [U-2H] d2o, 100% D2O
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