1CGS

LOCAL AND TRANSMITTED CONFORMATIONAL CHANGES ON COMPLEXATION OF AN ANTI-SWEETENER FAB

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	139.900, 51.400, 96.200
Unit cell angles	90.00, 132.80, 90.00

Refinement procedure

Resolution	10.000 - 2.600
R-factor	0.218
Rwork	0.218
RMSD bond length	0.018
RMSD bond angle	2.580
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.600 *	2.600 *
Rmerge	0.054 *	0.317 *
Total number of observations	36913 *
Number of reflections	14274 *	1014 *
Completeness [%]	91.3 *	53.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *			Shan, L., (1993) J. Crystal Growth, 126, 229. *