Extended Data Table 2. X-ray crystallographic data collection and refinement statistics for ShTniQ.
ShTniQ (PDB 7OXD) |
|
---|---|
Data collection | |
Space group | P 21 21 21 |
Cell dimensions | |
a, b, c (Å) | 41.636 49.875 86.8 |
α, β, γ (°) | 90 90 90 |
Resolution (Å) | 43.40 - 1.3 (1.346 - 1.3) |
R merge | 0.03864 (0.9239) |
I / σI | 23.26 (1.84) |
Completeness (%) | 99.75 (99.72) |
Redundancy | 6.7 (6.3) |
Refinement | |
Resolution (Å) | 43.24 - 1.3 |
No. reflections | 45126 (4426) |
Rwork / Rfree | 0.1881 (0.2866)/ 0.1952 (0.2872) |
No. atoms | 1470 |
Protein | 1232 |
Ligand/ion | 2 |
Water | 236 |
B-factors | |
Protein | 18.97 |
Ligand/ion | 17.19 |
Water | 30.86 |
R.m.s. deviations | |
Bond lengths (Å) | 0.005 |
Bond angles (°) | 0.92 |