Table 1 Data collection and refinement statistics.
From: Atomistic design of microbial opsin-based blue-shifted optogenetics tools
C1C2 GA | |
|---|---|
Data collection | |
Space group | C2221 |
Cell dimensions | |
a, b, c (Å) | 59.6, 142.4, 92.2 |
Resolution (Å)* | 50.0–2.50 (2.56–2.50) |
Rsym or Rmerge | 14.8 (175.4) |
I/σI | 11.8 (1.42) |
Completeness (%) | 99.9 (100.0) |
Redundancy | 9.8 (10.0) |
CC(1/2)† | 99.9 (62.1) |
Refinement | |
Resolution (Å) | 37.1–2.50 (2.69–2.50) |
No. of reflections | 13941 |
Rwork/Rfree | 22.3/24.1 (30.0/36.6) |
No. of atoms | |
Protein | 2,259 |
Ligands | 78 |
Water | 19 |
B-factors | |
Protein | 56.3 |
Ligands | 60.1 |
Water | 51.6 |
r.m.s. deviations | |
Bond lengths (Å) | 0.003 |
Bond angles (°) | 0.726 |
