2N0Y

NMR structure of the complex between the C-terminal domain of the Rift Valley fever virus protein NSs and the PH domain of the Tfb1 subunit of TFIIH

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.5 mM [U-15N] RNA polymerase II transcription factor B subunit 1, 1 mM Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
2	2D 1H-15N HSQC	0.4 mM RNA polymerase II transcription factor B subunit 1, 0.2 mM [U-15N] Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
3	3D HCCH-TOCSY	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
4	3D HCCH-TOCSY	1 mM RNA polymerase II transcription factor B subunit 1, 0.5 mM [U-13C; U-15N] Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
5	3D HNCO	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
6	3D HNCO	1 mM RNA polymerase II transcription factor B subunit 1, 0.5 mM [U-13C; U-15N] Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
7	3D HNCACB	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
8	3D HNCACB	1 mM RNA polymerase II transcription factor B subunit 1, 0.5 mM [U-13C; U-15N] Non-structural protein NS-S	90% H2O/10% D2O	0	6.5	ambient	300
9	2D 1H-13C HSQC	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
10	2D 1H-13C HSQC	0.5 mM RNA polymerase II transcription factor B subunit 1, 1 mM [U-13C; U-15N] Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
11	3D 1H-13C NOESY	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
12	3D 1H-13C NOESY	0.5 mM RNA polymerase II transcription factor B subunit 1, 1 mM [U-13C; U-15N] Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
13	3D 1H-13C NOESY aromatic	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
14	3D 1H-13C NOESY aromatic	0.5 mM RNA polymerase II transcription factor B subunit 1, 1 mM [U-13C; U-15N] Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
15	2D 1H-13C HSQC aromatic	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
16	2D 1H-13C HSQC aromatic	0.5 mM RNA polymerase II transcription factor B subunit 1, 1 mM [U-13C; U-15N] Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
17	3D 1H-13C NOESY intermolecular	1 mM [U-13C; U-15N] RNA polymerase II transcription factor B subunit 1, 2 mM Non-structural protein NS-S	100% D2O	0	6.5	ambient	300
18	3D 1H-13C NOESY intermolecular	0.5 mM RNA polymerase II transcription factor B subunit 1, 1 mM [U-13C; U-15N] Non-structural protein NS-S	100% D2O	0	6.5	ambient	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	500
2	Varian	INOVA	600

NMR Refinement
Method	Details	Software
torsion angle dynamics		CcpNmr Analysis

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	260
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	data analysis	CcpNmr Analysis	2.3.1
2	refinement	CNS

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.