Mass: 8970.373 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Transcription of RNA using T7 polymerase
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Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D 1H-13C HSQC
1
2
1
3D (H)CCH-TOCSY
1
3
1
2DNOESY13CHSQC
1
4
1
2DHCNTROSY
1
5
1
2D NOESY
1
6
3
2D 1H-13C HSQC
2
7
2
2D NOESY
2
8
2
2D COSY
1
9
2
2D 1H-13C HSQC
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
1.5 mM [U-98% 13C; U-98% 15N] ADENOSINE-5'-MONOPHOSPHATE, 1.5 mM [U-98% 13C; U-98% 15N] URIDINE-5'-MONOPHOSPHATE, 1.5 mM GUANOSINE-5'-MONOPHOSPHATE, 1.5 mM CYTIDINE-5'-MONOPHOSPHATE, 1.5 mM cobalt hexamine, 10 mM sodium chloride, 10 mM sodium phosphate, 100% D2O
100% D2O
2
1 mM GUANOSINE-5'-MONOPHOSPHATE, 1 mM ADENOSINE-5'-MONOPHOSPHATE, 1 mM CYTIDINE-5'-MONOPHOSPHATE, 1 mM URIDINE-5'-MONOPHOSPHATE, 1 mM cobalt hexamine, 10 mM sodium chloride, 10 mM sodium phosphate, 90% H2O/10% D2O
90% H2O/10% D2O
3
1.5 mM [U-98% 13C; U-98% 15N] ADENOSINE-5'-MONOPHOSPHATE, 1.5 mM [U-98% 13C; U-98% 15N] URIDINE-5'-MONOPHOSPHATE, 1.5 mM GUANOSINE-5'-MONOPHOSPHATE, 1.5 mM CYTIDINE-5'-MONOPHOSPHATE, 1.5 mM cobalt hexamine, 5 mg/mL phage, 10 mM sodium chloride, 10 mM sodium phosphate, 100% D2O
100% D2O
Sample
Conc. (mg/ml)
Component
Isotopic labeling
Solution-ID
1.5mM
ADENOSINE-5'-MONOPHOSPHATE-1
[U-98% 13C; U-98% 15N]
1
1.5mM
URIDINE-5'-MONOPHOSPHATE-2
[U-98% 13C; U-98% 15N]
1
1.5mM
GUANOSINE-5'-MONOPHOSPHATE-3
1
1.5mM
CYTIDINE-5'-MONOPHOSPHATE-4
1
1.5mM
cobalt hexamine-5
1
10mM
sodium chloride-6
1
10mM
sodium phosphate-7
1
1mM
GUANOSINE-5'-MONOPHOSPHATE-8
2
1mM
ADENOSINE-5'-MONOPHOSPHATE-9
2
1mM
CYTIDINE-5'-MONOPHOSPHATE-10
2
1mM
URIDINE-5'-MONOPHOSPHATE-11
2
1mM
cobalt hexamine-12
2
10mM
sodium chloride-13
2
10mM
sodium phosphate-14
2
1.5mM
ADENOSINE-5'-MONOPHOSPHATE-15
[U-98% 13C; U-98% 15N]
3
1.5mM
URIDINE-5'-MONOPHOSPHATE-16
[U-98% 13C; U-98% 15N]
3
1.5mM
GUANOSINE-5'-MONOPHOSPHATE-17
3
1.5mM
CYTIDINE-5'-MONOPHOSPHATE-18
3
1.5mM
cobalt hexamine-19
3
5mg/mL
phage-20
3
10mM
sodium chloride-21
3
10mM
sodium phosphate-22
3
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
20
6
ambient
298K
2
20
6
ambient
274K
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NMR measurement
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Varian VNMRS
Varian
VNMRS
500
1
Agilent INOVA
Agilent
INOVA
900
2
Agilent INOVA
Agilent
INOVA
800
3
Agilent NMR System
Agilent
NMRSystem
600
4
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Processing
NMR software
Name
Developer
Classification
Sparky
Goddard
chemicalshiftassignment
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
refinement
Refinement
Method: simulated annealing / Software ordinal: 1
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10
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