2KHH

Structural requirements for the UBA domain of the mRNA export factor Mex67 to bind its specific targets, the transcription elongation Tho complex component Hpr1 and nucleoporin FxFG repeats

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
2	2D 1H-13C HSQC	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
3	3D CBCA(CO)NH	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
4	3D HNCACB	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
5	3D HBHA(CO)NH	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
6	3D HCCH-TOCSY	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
7	3D HCCH-COSY	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
8	3D 1H-13C NOESY	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
9	3D 1H-15N NOESY	1 mM [U-100% 13C; U-100% 15N] Mex67-1, 5 mM FxFG-2, 25 mM sodium phosphate-3, 50 mM sodium chloride-4	90% H2O/10% D2O		7.4	ambient	300
10	2D 1H-1H TOCSY	5 mM FxFG-5, 25 mM sodium phosphate-6, 50 mM sodium chloride-7	90% H2O/10% D2O		7.4	ambient	300
11	2D 1H-1H NOESY	5 mM FxFG-5, 25 mM sodium phosphate-6, 50 mM sodium chloride-7	90% H2O/10% D2O		7.4	ambient	300

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX	500

NMR Refinement
Method	Details	Software
simulated annealing		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	3.6	Bruker Biospin
2	processing	XwinNMR	3.6	Bruker Biospin
3	structure solution	X-PLOR NIH		Schwieters, Kuszewski, Tjandra and Clore
4	chemical shift assignment	CCPNMR	1.0.18	CCPN
5	structure solution	TALOS		Cornilescu, Delaglio and Bax
6	refinement	TALOS		Cornilescu, Delaglio and Bax

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.