Structure of a human Xist RNA A-repeat AUCG tetraloop hairpin essential for X-inactivation
Polymer type: polyribonucleotide
Total | 1H | 13C | 15N | 31P | |
---|---|---|---|---|---|
All | 7.6 % (18 of 238) | 11.2 % (14 of 125) | 0.0 % (0 of 92) | 57.1 % (4 of 7) | 0.0 % (0 of 14) |
Suger, PO4 | 0.0 % (0 of 168) | 0.0 % (0 of 84) | 0.0 % (0 of 70) | 0.0 % (0 of 14) | |
Nucleobase | 25.7 % (18 of 70) | 34.1 % (14 of 41) | 0.0 % (0 of 22) | 57.1 % (4 of 7) | |
Aromatic | 13.8 % (8 of 58) | 13.8 % (4 of 29) | 0.0 % (0 of 22) | 57.1 % (4 of 7) |
1. AUCG tetraloop hairpin
GGCGCAUCGG CGCCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 1.0 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | EDTA | natural abundance | 0.02 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 1.2 mM | |
9 | sodium phosphate | natural abundance | 10 mM | |
10 | sodium chloride | natural abundance | 100 mM | |
11 | EDTA | natural abundance | 0.02 mM | |
12 | sodium azide | natural abundance | 0.02 % | |
13 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
14 | Xist RNA A-repeat AUCG tetraloop hairpin | [U-98% 13C; U-98% 15N] | 0.8 ~ 1.2 mM | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | sodium chloride | natural abundance | 100 mM | |
17 | EDTA | natural abundance | 0.02 mM | |
18 | sodium azide | natural abundance | 0.02 % | |
19 | H2O | natural abundance | 90 % | |
20 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | Xist RNA A-repeat AUCG tetraloop hairpin | [U-98% 13C; U-98% 15N] | 0.8 ~ 1.2 mM | |
22 | sodium phosphate | natural abundance | 10 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | EDTA | natural abundance | 0.02 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | D2O | natural abundance | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
27 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 1.2 mM | |
28 | sodium phosphate | natural abundance | 10 mM | |
29 | sodium chloride | natural abundance | 100 mM | |
30 | EDTA | natural abundance | 0.02 mM | |
31 | sodium azide | natural abundance | 0.02 % | |
32 | filamentous bacteriophage Pf1 | natural abundance | 18 mg/mL | |
33 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 6.0, Details sample 50% isotope labeled, 50% unlabeled
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
34 | Xist RNA A-repeat AUCG tetraloop hairpin | [U-98% 13C; U-98% 15N] | 0.4 mM | |
35 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 0.4 mM | |
36 | sodium phosphate | natural abundance | 10 mM | |
37 | sodium chloride | natural abundance | 100 mM | |
38 | EDTA | natural abundance | 0.02 % | |
39 | sodium azide | natural abundance | 0.02 mM | |
40 | H2O | natural abundance | 90 % | |
41 | D2O | natural abundance | 10 % |
Polymer type: polyribonucleotide
Total | 1H | 13C | 15N | 31P | |
---|---|---|---|---|---|
All | 48.5 % (231 of 476) | 47.2 % (118 of 250) | 49.5 % (91 of 184) | 64.3 % (9 of 14) | 46.4 % (13 of 28) |
Suger, PO4 | 48.8 % (164 of 336) | 48.8 % (82 of 168) | 49.3 % (69 of 140) | 46.4 % (13 of 28) | |
Nucleobase | 47.9 % (67 of 140) | 43.9 % (36 of 82) | 50.0 % (22 of 44) | 64.3 % (9 of 14) | |
Aromatic | 49.1 % (57 of 116) | 44.8 % (26 of 58) | 50.0 % (22 of 44) | 64.3 % (9 of 14) |
1. AUCG tetraloop hairpin
GGCGCAUCGG CGCCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 1.0 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | EDTA | natural abundance | 0.02 mM | |
5 | sodium azide | natural abundance | 0.02 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 1.2 mM | |
9 | sodium phosphate | natural abundance | 10 mM | |
10 | sodium chloride | natural abundance | 100 mM | |
11 | EDTA | natural abundance | 0.02 mM | |
12 | sodium azide | natural abundance | 0.02 % | |
13 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
14 | Xist RNA A-repeat AUCG tetraloop hairpin | [U-98% 13C; U-98% 15N] | 0.8 ~ 1.2 mM | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | sodium chloride | natural abundance | 100 mM | |
17 | EDTA | natural abundance | 0.02 mM | |
18 | sodium azide | natural abundance | 0.02 % | |
19 | H2O | natural abundance | 90 % | |
20 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | Xist RNA A-repeat AUCG tetraloop hairpin | [U-98% 13C; U-98% 15N] | 0.8 ~ 1.2 mM | |
22 | sodium phosphate | natural abundance | 10 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | EDTA | natural abundance | 0.02 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | D2O | natural abundance | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
27 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 1.2 mM | |
28 | sodium phosphate | natural abundance | 10 mM | |
29 | sodium chloride | natural abundance | 100 mM | |
30 | EDTA | natural abundance | 0.02 mM | |
31 | sodium azide | natural abundance | 0.02 % | |
32 | filamentous bacteriophage Pf1 | natural abundance | 18 mg/mL | |
33 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details sample 50% isotope labeled, 50% unlabeled
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
34 | Xist RNA A-repeat AUCG tetraloop hairpin | [U-98% 13C; U-98% 15N] | 0.4 mM | |
35 | Xist RNA A-repeat AUCG tetraloop hairpin | natural abundance | 0.4 mM | |
36 | sodium phosphate | natural abundance | 10 mM | |
37 | sodium chloride | natural abundance | 100 mM | |
38 | EDTA | natural abundance | 0.02 % | |
39 | sodium azide | natural abundance | 0.02 mM | |
40 | H2O | natural abundance | 90 % | |
41 | D2O | natural abundance | 10 % |