2BUD | pdb_00002bud

The solution structure of the chromo barrel domain from the males- absent on the first (MOF) protein

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D 15N-SEPARATED NOESY AND TOCSY	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
2	3D 13C-SEPARATED NOESY-HSQC	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
3	3D HCCH-TOCSY	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
4	3D TROSY-HNCO	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
5	3D INTRAHNCA	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
6	3D HNCO	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
7	3D HNCACB	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
8	3D CBCA(CO)NH	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
9	3D HCCCONH	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
10	3D HCCCONH	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
11	3D HCCH-TOCSY	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
12	4D 13C	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0
13	15N- SEPARATED HMQC-NOESY-HSQC	90% WATER/10% D2O, 25MMOLES/L SODIUM PHOSPHATE, 150MMOL/L SODIUM CHLORIDE		212 mM	5.0	1.0 atm	298.0

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	800
2	Bruker	DRX	600

NMR Refinement
Method	Details	Software
ARIA		CNS 1.0 WITH ARIA1.1.2 ARIA1.1.2

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	25
Representative Model	4 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USIGN TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELLED MOF CHROMO BARREL DOMAIN. PHI, PSI AND CHI1 ANGLES WERE DETERMINED FROM 3J ( HA,HB),(HN,HA),(CO,CO) AND (N,CG) COUPLINGS AND DIPOLAR- DIPOLAR AND DIPOLAR-CHEMICAL SHIFT ANISOTROPY RELAXATION INTERFERENCE.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CNS 1.0 WITH ARIA1.1.2 ARIA1.1.2	ARIA1.1.2	A.T.BRUNGER,J.P.LINGE,S.J.ODONOGHUE,M.NILGES.
2	structure solution	ARIA
3	structure solution	CNS

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 R01GM157729.