6ES5

Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	TROSY	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE 600
2	3D HNCACB	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE 600
3	3D 1H-1H NOESY	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE 600
4	Filtered NOESY	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE 600
5	3JHNHA	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE 600
6	3JHNHA	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE II 700
7	3D HNCO	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE 600
8	T1, T2, NOE	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE 600
9	3D HNCACB	100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N	90% H2O/10% D2O	150	6.5	1 Pa	298	Bruker AVANCE II 900

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	600
2	Bruker	AVANCE II	700
3	Bruker	AVANCE II	900

NMR Refinement
Method	Details	Software
simulated annealing		CYANA

NMR Ensemble Information
Conformer Selection Criteria	target function
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (target function)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CYANA		Guntert P.

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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.