2CGR

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

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	131.000, 114.100, 37.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.214
Rwork	0.214
RMSD bond length	0.016
RMSD bond angle	3.550
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.200 *	2.200 *
Rmerge	0.072 *	0.179 *
Total number of observations	126541 *
Number of reflections	24544 *	2072 *
Completeness [%]	83.8 *	58.8 *