5AGQ

Solution structure of the TAM domain of human TIP5 BAZ2A involved in epigenetic regulation of rRNA genes

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	15N-HSQC	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
2	13C-HSQC	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
3	HNCACB	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
4	HN(CO)CACB	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
5	CC(CO)NH- TOCSY	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
6	HCCH-TOCSY	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
7	15N- EDITED 3D NOESY	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
8	13C- EDITED 3D NOESY (ALIPHATICS)	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0
9	13C-EDITED 3D NOESY (AROMATICS)	20MM SODIUM PHOSPHATE PH 7. 0, 50MM NACL, 1MM DTT, 90% H2O/10% D2O		100 mM	7.0	1.0 atm	293.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	900

NMR Refinement
Method	Details	Software
ARIA2, CNS		CNS

NMR Ensemble Information
Conformer Selection Criteria	BEST ENERGY
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED TIP5-TAM DOMAIN. THE SOLUTION STRUCTURE WAS DEFINED BASED ON 2732 DISTANCE RESTRAINTS, DERIVED FROM CYANA 3.0, TORSION ANGLE RESTRAINTS AND TWO SETS OF RDCS FROM TWO DIFFERENT ALIGNMENT MEDIA. VALIDATION PERFORMED WITH ICING WEB, PROCHECK AND WHATCHECK.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS		BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- KUNSTLEVE, JIANG,KUSZEWSKI,NILGES,PANNU,READ, RICE,SIMONSON, WARREN
2	structure solution	Sparky
3	structure solution	CYANA	3.0

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.