Table 1.
SeMet-FcsSBP + A-trisaccharide | |
---|---|
Data collection | |
Space Group | P21 |
Resolution (Å) | 30.00–2.35 (2.48–2.35)* |
Cell Dimensions | |
(a, b, c) | 36.9, 104.9, 97.7 |
(α, β, γ) | 90, 89.95, 90 |
Rmerge | 0.097 (0.390) |
I/σI | 22.5 (5.5) |
Completeness (%) | 100.0 (100.0) |
Redundancy | 10.4 (10.4) |
# Reflections | 323208 |
# unique reflections | 31126 |
Refinement | |
Rwork/Rfree | 0.21/0.26 |
No. atoms | |
Protein | 2983 (A) 2983 (B) |
Ligand/ion atoms | 72 (sugar) 2 (IOD) |
Water molecules | 410 |
B-factors | |
Protein | 23.3 (A) 23.3 (B) |
Ligand/ion | 17.5 (sugar) 41.2 (IOD) |
Water | 27.6 |
R.m.s deviations | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.212 |
Ramachandran statistics (%) | |
Preferred | 94.3 |
allowed | 5.5 |
outliers | 0.1 |
Highest resolution shell is shown in parenthesis.