Solution Structure of RfaH carboxyterminal domain
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.2 % (682 of 773) | 98.5 % (398 of 404) | 72.7 % (221 of 304) | 96.9 % (63 of 65) |
Backbone | 83.2 % (321 of 386) | 98.5 % (131 of 133) | 68.2 % (131 of 192) | 96.7 % (59 of 61) |
Sidechain | 94.2 % (421 of 447) | 98.5 % (267 of 271) | 87.2 % (150 of 172) | 100.0 % (4 of 4) |
Aromatic | 57.7 % (30 of 52) | 96.2 % (25 of 26) | 19.2 % (5 of 26) | |
Methyl | 100.0 % (74 of 74) | 100.0 % (37 of 37) | 100.0 % (37 of 37) |
1. entity
GAMGPKDIVD PATPYPGDKV IITEGAFEGF QAIFTEPDGE ARSMLLLNLI NKEIKHSVKN TEFRKLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | na | direct | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | direct | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | na | direct | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | direct | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | na | direct | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | direct | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with CryoProbe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with CryoProbe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with CryoProbe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM RfaH-CTD solved in NMR-buffer
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RfaH-CTD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | HEPES | natural abundance | 0.025 mM | |
3 | NaCl | natural abundance | 0.05 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17615_2lcl.nef |
Input source #2: Coordindates | 2lcl.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
---100-----110-------120-------130-------140-------150-------160-- GAMGPKDIVDPATPYPGDKVIITEGAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGPKDIVDPATPYPGDKVIITEGAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL --------10--------20--------30--------40--------50--------60------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 66 | 0 | 0 | 100.0 |
Content subtype: combined_17615_2lcl.nef
Assigned chemical shifts
---100-----110-------120-------130-------140-------150-------160-- GAMGPKDIVDPATPYPGDKVIITEGAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGPKDIVDPATPYPGDKVIITEGAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 404 | 397 | 98.3 |
13C chemical shifts | 304 | 211 | 69.4 |
15N chemical shifts | 67 | 62 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 133 | 130 | 97.7 |
13C chemical shifts | 132 | 66 | 50.0 |
15N chemical shifts | 61 | 58 | 95.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 271 | 267 | 98.5 |
13C chemical shifts | 172 | 145 | 84.3 |
15N chemical shifts | 6 | 4 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 38 | 97.4 |
13C chemical shifts | 39 | 38 | 97.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 26 | 25 | 96.2 |
13C chemical shifts | 26 | 0 | 0.0 |
Distance restraints
---100-----110-------120-------130-------140-------150-------160-- GAMGPKDIVDPATPYPGDKVIITEGAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..MGPKDIVDPATPYPGDKVIITEGAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL
Dihedral angle restraints
---100-----110-------120-------130-------140-------150-------160-- GAMGPKDIVDPATPYPGDKVIITEGAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL ||||||||||||||||||||||||||||||| ||||||||||||||||||| |||||| .......IVDPATPYPGDKVIITEGAFEGFQAIFTEPD..ARSMLLLNLINKEIKHSVK.TEFRKL