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 |