1THU

THE STRUCTURES OF THREE CRYSTAL FORMS OF THE SWEET PROTEIN THAUMATIN

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	117.700, 44.900, 38.000
Unit cell angles	90.00, 94.00, 90.00

Refinement procedure

Resolution	8.000 - 2.600
R-factor	0.184
RMSD bond length	0.020
RMSD bond angle	2.954 *
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.610 *	2.610 *
Rmerge	0.106 *	0.170 *
Total number of observations	27736 *
Number of reflections	8350 *	892 *
Completeness [%]	70.8 *	38.1 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350