1FWO

THE SOLUTION STRUCTURE OF A 35-RESIDUE FRAGMENT FROM THE GRANULIN/EPITHELIN-LIKE SUBDOMAIN OF RICE ORYZAIN BETA (ROB 382-416 (C398S,C399S,C407S,C413S))

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D NOESY	0.5 mM ROB 382-416 (C398S,C399S,C407S,C413S), 90% H2O, 10% D2O	90% H2O/10% D2O	0	2.0	ambient	288
2	2D NOESY	0.5 mM ROB 382-416 (C398S,C399S,C407S,C413S)	100% D2O	0	2.0	ambient	288

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	800
2	Bruker	AVANCE	500

NMR Refinement
Method	Details	Software
distance geometry and simulated annealing	the structures are based on a total of 288 restraints, 195 are unambiguous NOE-derived distance constraints, 91 ambiguous NOE-derived distance constraints, 2 distance restraints from disulfide bonds.	X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations
Conformers Calculated Total Number	200
Conformers Submitted Total Number	10

Additional NMR Experimental Information
Details	This structure was determined using standard 2D homonuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.1	Brunger
2	processing	UXNMR	2.1	Bruker
3	data analysis	Pronto	19990105	Kjaer, M., Andersen, K.V., Poulsen, F. M.

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.