Table I.
B*4405/EEFGRAFSF | B*4403/EEPTVIKKY | |
---|---|---|
Temperature | 100 K | 100 K |
Space Group | P212121 | P212121 |
Cell dimensions (Å) (a, b, c) | 50.77, 82.23, 110.00 | 50.8, 82.0, 110.2 |
Resolution (Å) | 1.7 | 2.4 |
Total no. observations | 132,999 | 79,815 |
No. unique observations | 48,317 | 18,236 |
Multiplicity | 2.75 | 4.4 |
Data completeness (%) | 93.8 (90.0) | 99.5 (99.8) |
No. data > 2σI | 77.5 (42.9) | 82.1 |
I/σI | 22.1 (2.7) | 7.9 (2.3) |
Rmerge a (%) | 4.9 (41.4) | 6.9 (23.9) |
The values in parentheses are for the highest resolution bin (approximate interval 0.1 Å).
Rmerge = Σ|Ihkl − <Ihkl> | / ΣIhkl.