7T3H

MicroED structure of Dynobactin

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	42.230, 9.730, 19.070
Unit cell angles	90.00, 112.00, 90.00

Refinement procedure

Resolution	9.500 - 1.050
R-factor	0.1294
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.080
High resolution limit [Å]	0.900	4.700	1.050
Rmerge	0.205	0.161	0.672
Rmeas	0.211	0.170	0.689
Total number of observations	59896
Number of reflections	3490	35	260
<I/σ(I)>	8.2	12.74	3.16
Completeness [%]	97.8	70	98.1
Redundancy	17.162	8.171	18.719
CC(1/2)	0.990	0.977	0.920