Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Remark 999
Authors think that the PRO 330 in the database sequence could be a sequencing error since the ...Authors think that the PRO 330 in the database sequence could be a sequencing error since the closely related mouse and rat sequences have leucines in this position. In addition, the codon usage for a leucine and a proline differs by only one nucleotide.
Mass: 6680.012 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: THE RNA WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE OF THE RNA IS NATURALLY FOUND IN the 5' ETS of Mus musculus (house mouse), EMBL accession M20154.
#2: Protein
Nucleolin / Protein C23
Mass: 19365.744 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mesocricetus auratus (golden hamster) / Gene: NCL / Plasmid: pET15B / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)RIL / References: UniProt: P08199
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
3
3D 13C-separated NOESY
1
2
4
3D 15N-separated NOESY
1
3
3
2D 13C-filtered NOESY
2
4
3
2D 13C-filtered NOESY
3
5
3
2D 13C-filtered NOESY
1
6
4
T1-coupled HSQC
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
U-(15N,13C,99% 2H) nucleolin RBD12 in a 1 mM 1:1 complex with unlabeled b2NRE, 95% H2O, 5% D2O
50mMphosphatebuffer, 95% H2O, 5% D2O
2
U-(15N,13C,70% 2H) nucleolin RBD12 in a 1 mM 1:1 complex with unlabeled b2NRE, 95% H2O, 5% D2O
50mMphosphatebuffer, 95% H2O, 5% D2O
3
U-(15N,13C) nucleolin RBD12 in a 1 mM 1:1 complex with unlabeled b2NRE, 100% D2O
50mMphosphatebuffer, 100% D2O
4
U-(15N) nucleolin RBD12 in a 1 mM 1:1 complex with unlabeled b2NRE, 95% H2O, 5% D2O
50mMphosphatebuffer, 95% H2O, 5% D2O
5
Unlabeled nucleolin RBD12 in a 1mM 1:1 complex with 15N,13C-Adenine, Uracil labeled b2NRE, 100% D2O
50mMphosphatebuffer, 100% D2O
6
Unlabeled nucleolin RBD12 in a 1mM 1:1 complex with 15N,13C-Cytosine, Guanine labeled b2NRE, 100% D2O
50mMphosphatebuffer, 100% D2O
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
150mMKCl
7.0
ambient
310K
2
50mMKCl
7.0
ambient
310K
3
200mMKCl
7.0
ambient
310K
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NMR measurement
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Method: simulated annealing / Software ordinal: 1 Details: The structures are based on 3744 restraints, 3222 are NOE-derived distance constraints, 160 hydrogen bond restraints, 80 protein NH residual dipolar couplings, 250 dihedral angle restraints.
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 40 / Conformers submitted total number: 14
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