6PO6

MicroED Structure of a Natural Product VFAThiaGlu

Experimental procedure

Spacegroup name	P 1 21 1
Unit cell lengths	9.660, 9.580, 12.140
Unit cell angles	90.00, 94.00, 90.00

Refinement procedure

Resolution	12.110 - 1.000
Structure solution method	AB_INITIO
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.040
High resolution limit [Å]	1.000	3.460	1.000
Rmerge	0.216	0.195	0.405
Rmeas	0.270	0.241	0.507
Total number of observations	5689
Number of reflections	2262	53	308
<I/σ(I)>	3.74	5.95	2.04
Completeness [%]	95.8	96.4	96.6
CC(1/2)	0.927	0.949	0.614