Experiment: 2XKU

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	15NNOESY_CORR	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
2	HNCA	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
3	HNCACB	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
4	HSQC	90% H2O/10% D2O		0.04	7.5	1.0 atm	298.0
5	D2O_AROCHSQC	90% H2O/10% D2O
6	HCCH_ARO	90% H2O/10% D2O
7	CBCACONH	90% H2O/10% D2O
8	C_TOCSY	90% H2O/10% D2O
9	HNCO	90% H2O/10% D2O
10	HNCOCA	90% H2O/10% D2O
11	HCCH_TOCSY	90% H2O/10% D2O
12	HCCH_COSY	90% H2O/10% D2O
13	HDA	90% H2O/10% D2O
14	HEA	90% H2O/10% D2O
15	AROCNOESY	90% H2O/10% D2O
16	D2O_CHSQC	90% H2O/10% D2O
17	D2O_CNOESY	90% H2O/10% D2O

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	INOVA	750
2	Varian	INOVA	500
3	Varian	INOVA	600
4	Varian	INOVA	750

NMR Refinement
Method	Details	Software
NONE	THE CCPN NMR ASSIGNMENT AND DATA ANALYSIS APPLICATION	CcpNmr Analysis

NMR Ensemble Information
Conformer Selection Criteria	LOWEST ENERGY
Conformers Calculated Total Number	30
Conformers Submitted Total Number	30

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED BETA-2-MICROGLOBULIN.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	CcpNmr Analysis	1.0	CCPN
2	structure solution	CcpNmr Analysis	2.1
3	structure solution	Xplor-NIH	2.17
4	structure solution	NMRPipe	2.5
5	structure solution	ARIA	2.1
6	structure solution	NMRView	5.22
7	structure solution	PASD ALGORITHM	1.0
8	structure solution	VNMR	6.1C

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.